SCHEMBL12413778

SCHEMBL12413778

CCC(C)(C)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP3A4 P08684 3/20 0.56
MAPT P10636 2/20 0.56
AHR P35869 1/20 0.56
GPR84 Q9NQS5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
CYP2D6 P10635 2/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2A P28223 6/20 0.51
HTR1A P08908 4/20 0.51
HTR6 P50406 4/20 0.51
HTR2C P28335 3/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50

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
SCHEMBL19134737 0.88 MEN1 (0.55) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL22601514 0.87 HTR6 (0.46) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL12991968 0.85 MEN1 (0.51) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL73842 0.84 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL16366298 0.83 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL20665499 0.83 HTR2A (0.56) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11821215 0.83 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11816093 0.81 MEN1 (0.55) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11817984 0.81 MEN1 (0.54) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL19135068 0.81 MEN1 (0.50) MEN1KMT2ACYP3A4MAPTAHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 US disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
US-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-09-28 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC. (US) 2017-08-31 US disclosed
US-9708368-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-RE42624-E1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2011-08-16 US 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 (6 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-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES CD47, CD44, MSR1 MEN1 600/4885KMT2A 1557/4885CYP3A4 4515/4885
US-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS MEN1 3672/4885KMT2A 2316/4885CYP3A4 4722/4885
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT MEN1 1915/4885KMT2A 3195/4885CYP3A4 4869/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 MEN1 126/4885KMT2A 2306/4885CYP3A4 4730/4885
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 MEN1 126/4885KMT2A 2306/4885CYP3A4 4730/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT MEN1 1915/4885KMT2A 3195/4885CYP3A4 4869/4885

“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.