SCHEMBL128095

SCHEMBL128095

CNc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 6/20 0.57
CYP1A2 P05177 1/20 0.57
KDR P35968 2/20 0.54
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
MITF O75030 1/20 0.53
XBP1 P17861 1/20 0.53
PAX8 Q06710 1/20 0.53
KLF5 Q13887 1/20 0.53
ALPL P05186 1/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL30824513 1.00 NPSR1 (0.57) NPSR1KDM4ECYP1A2KDRRAB9A
Isophthalic Acid SCHEMBL27777859 0.83 KDR (0.62) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL483375 0.80 PDGFRB (0.60) CYP1A2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL28007469 0.80 NPSR1 (0.57) NPSR1KDM4ECYP1A2KDRRAB9A
SCHEMBL11591503 0.80 NPSR1 (0.57) NPSR1KDM4ECYP1A2KDRRAB9A
SCHEMBL23055256 0.80 NPSR1 (0.57) NPSR1KDM4ECYP1A2KDRRAB9A
SCHEMBL11591505 0.80 NPSR1 (0.57) NPSR1KDM4ECYP1A2KDRRAB9A
SCHEMBL7033706 0.80 NPSR1 (0.62) NPSR1KDM4ECYP1A2KDRRAB9A
SCHEMBL2622213 0.79 TRPV1 (0.54) NPSR1KDM4ECYP1A2KDRRAB9A
SCHEMBL12895711 0.79 RAB9A (0.59) NPSR1KDM4ECYP1A2KDRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-118221644-A Pyrrolidine derivative, composition and application thereof 上海京新生物医药有限公司 2024-06-21 CN disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
EP-3246963-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-31 EP disclosed
CN-114904527-B Method for preparing N-monomethyl aromatic amine compound by catalyzing methanol 华北电力大学 2023-05-26 CN disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
CN-114904527-A Method for preparing N-monomethyl arylamine compound by catalyzing methanol 华北电力大学 2022-08-16 CN disclosed
CN-114245794-A Compounds for the treatment of huntington's disease PTC医疗公司 2022-03-25 CN disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
CN-1582285-A Heteroarylamine compounds useful as glycogen synthase kinase 3 beta inhibitors (GSK3 inhibitors) JANSSEN PHARMACEUTICA NV (BE) 2005-02-16 CN disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-4396620-A BACTERICIDES ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382931-A 3'-Substituted quinolinium cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 NPSR1 890/4885KDM4E 2624/4885CYP1A2 1377/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 NPSR1 2749/4885KDM4E 3621/4885CYP1A2 4661/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 NPSR1 180/4885KDM4E 3604/4885CYP1A2 905/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB NPSR1 821/4885KDM4E 3631/4885CYP1A2 1483/4885

“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.