SCHEMBL4075213

SCHEMBL4075213

[CH2]Cc1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 2/20 0.50
MET P08581 6/20 0.49
DAO P14920 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL28218196 0.98 NPC1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL5546704 0.85 DAO (0.54) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL3821378 0.85 ALDH1A1 (0.53) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL5540682 0.82 DAO (0.51) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL5535997 0.81 DAO (0.50) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL28152082 0.81 DAO (0.50) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL19338490 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL4375850 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL21169605 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL507149 0.81 ALDH1A1 (0.58) NPC1POLBRAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO claimed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO claimed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2024101386-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2024096023-A1 METHOD FOR REMOVING DIBENZOFULVENE OR DIBENZOFULVENE DERIVATIVE 中外製薬株式会社 2024-05-10 WO disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
WO-2024085235-A1 METHOD FOR PRODUCING CYCLIC PEPTIDE CRYSTALS 中外製薬株式会社 2024-04-25 WO disclosed
WO-2024080333-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2024-04-18 WO disclosed
WO-2024080308-A1 COMPOSITION CONTAINING PEPTIDE, SURFACTANT, AND POLYMER 中外製薬株式会社 2024-04-18 WO disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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 (4 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 NPC1 1416/4885POLB 3892/4885RAB9A 2154/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NPC1 2404/4885POLB 1637/4885RAB9A 2824/4885
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS NPC1 4316/4885POLB 2268/4885RAB9A 130/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS NPC1 2474/4885POLB 4081/4885RAB9A 98/4885

“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.