SCHEMBL16856403

SCHEMBL16856403

CN1Cc2ccccc2-c2nnn(C)c2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
KEAP1 Q14145 1/20 0.34
DRD4 P21917 1/20 0.34
TOP2A P11388 1/20 0.33
BRD4 O60885 3/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16984175 0.94 SLC9A1 (0.34) SLC9A1KEAP1DRD4TOP2ABRD4
SCHEMBL20693320 0.86 SLC9A1 (0.38) SLC9A1DRD4TOP2ATP53SMN1; SMN2
SCHEMBL24180939 0.86 DRD4 (0.35) SLC9A1KEAP1DRD4TOP2ABRD4
SCHEMBL24506189 0.86 DRD4 (0.33) DRD4BRD4BRD2BRD3KDM4E
SCHEMBL19049876 0.86 DRD4 (0.35) SLC9A1KEAP1DRD4TOP2ABRD4
SCHEMBL24140358 0.86 BRD2 (0.34) SLC9A1KEAP1DRD4TOP2ABRD4
SCHEMBL25777198 0.85 SLC9A1 (0.41) SLC9A1TOP2AADRA2AKMT2AIDO1
SCHEMBL19199065 0.85 TOP2A (0.37) DRD4TOP2ABRD4BRD2BRD3
SCHEMBL24440155 0.83 TSHR (0.33) DRD4BRD4BRD2BRD3KDM4E
SCHEMBL21117274 0.83 DRD4 (0.31) SLC9A1KEAP1DRD4TOP2ABRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064771-A1 ANTI-CD45-IGN ANTIBODY DRUG CONJUGATES AND USES THEREOF VOR BIOPHARMA INC. (US) 2024-03-28 WO disclosed
US-11806404-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-07 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
WO-2023141474-A9 POLY-TAILED AND POLY-CAPPED MRNA AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-10-26 WO disclosed
WO-2023196224-A1 BIVALIRUDIN COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2023-10-12 WO disclosed
US-20230248842-A1 SITE-SPECIFIC ANTIBODY CONJUGATION AND ANTIBODY-DRUG CONJUGATE AS SPECIFIC EMBODIMENT THEREOF AbTis Co., Ltd. (KR) 2023-08-10 US disclosed
WO-2023141474-A1 POLY-TAILED AND POLY-CAPPED MRNA AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 WO disclosed
WO-2023137026-A1 CAMPTOTHECIN ANALOGS CONJUGATED TO A GLUTAMINE RESIDUE IN A PROTEIN, AND THEIR USE REGENERON PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
WO-2023124537-A1 CONJUGATE AND ANTIBODY-DRUG CONJUGATE PREPARED USING SAME 辽宁键凯科技有限公司 2023-07-06 WO disclosed
US-20170360954-A1 COMPOSITIONS AND METHODS FOR THE DEPLETION OF CD117+ CELLS CRISPR THERAPEUTICS AG (CH) 2017-12-21 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20170119851-A1 METHODS OF TREATING ANOREXIA NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20160362439-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-15 US disclosed
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 US disclosed
US-20160264626-A1 METHOD FOR PRODUCING PEPTIDE HYDRAZIDE, PEPTIDE AMIDE, AND PEPTIDE THIOESTER AJINOMOTO CO., INC. (JP) 2016-09-15 US disclosed
US-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2016-09-08 US disclosed
US-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2016-02-04 US disclosed
US-20150218220-A1 AMATOXIN DERIVATIVES AND CELL-PERMEABLE CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE AGENSYS, INC. 2015-08-06 US disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 SLC9A1 3393/4885KEAP1 1639/4885DRD4 4703/4885
US-11806404-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C SLC9A1 4316/4885KEAP1 713/4885DRD4 4743/4885
US-20170360954-A1 COMPOSITIONS AND METHODS FOR THE DEPLETION OF CD117+ CELLS CD2, CD47, SIGLEC7 SLC9A1 1237/4885KEAP1 4228/4885DRD4 3653/4885
US-20160264626-A1 METHOD FOR PRODUCING PEPTIDE HYDRAZIDE, PEPTIDE AMIDE, AND PEPTIDE THIOESTER VIP, PPT1, NPPA SLC9A1 2813/4885KEAP1 628/4885DRD4 3789/4885
US-20170119851-A1 METHODS OF TREATING ANOREXIA CRH, VIP, GIPR SLC9A1 3850/4885KEAP1 3577/4885DRD4 3904/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SLC9A1 988/4885KEAP1 797/4885DRD4 987/4885
US-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG SLC9A1 3408/4885KEAP1 856/4885DRD4 2512/4885
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR SLC9A1 3849/4885KEAP1 3603/4885DRD4 4799/4885
US-20160362439-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 SLC9A1 310/4885KEAP1 1097/4885DRD4 2229/4885
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) KIF5B, KIF23, KIF2C SLC9A1 3290/4885KEAP1 1522/4885DRD4 3447/4885
US-20150218220-A1 AMATOXIN DERIVATIVES AND CELL-PERMEABLE CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT SLC9A1 3556/4885KEAP1 3687/4885DRD4 2141/4885
US-20230248842-A1 SITE-SPECIFIC ANTIBODY CONJUGATION AND ANTIBODY-DRUG CONJUGATE AS SPECIFIC EMBODIMENT THEREOF EEA1, CD47, FCGR2A SLC9A1 4027/4885KEAP1 1628/4885DRD4 1591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.