SCHEMBL4526053

SCHEMBL4526053

c1ccc2cc(-c3c[nH]cn3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CYP1A2 P05177 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
AR P10275 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL12647726 0.92 CYP11B1 (0.39) CYP11B1CYP11B2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL26259879 0.90 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL20054776 0.87 ESR1 (0.36) CYP11B1CYP11B2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL12647439 0.82 CYP11B1 (0.33) CYP11B1CYP11B2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL17948012 0.82 CYP11B1 (0.42) CYP11B1CYP11B2CYP1A2ALDH1A1CYP2C19
SCHEMBL31546885 0.80 NPC1 (0.53) CYP11B1CYP11B2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL12647870 0.78 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2SMN1; SMN2CYP2C9
SCHEMBL12647819 0.77 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2SMN1; SMN2CYP2C9
SCHEMBL4063789 0.76 AKT1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL17948025 0.76 CYP11B1 (0.56) CYP11B1CYP11B2CYP1A2SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US claimed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
EP-1280802-B1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2004-05-06 EP disclosed
US-6620831-B2 Cyclin dependent kinase inhibitors; anticarcinogenic and antiinflammatory agents; restenosis, angiogenesis LG LIFE SCIENCES LTD. (KR) 2003-09-16 US disclosed
US-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2003-08-07 US disclosed
CN-1432015-A Indazoles substituted with 1, 1-dioxoisothiazolidine useful as cell proliferation inhibitors LG CHEM INVESTMENT LTD (KR) 2003-07-23 CN disclosed
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP disclosed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP disclosed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 WO disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (3 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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP11B1 1/4885CYP11B2 5/4885CYP1A2 38/4885
US-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION CCNA1, CCNI, CCNT1 CYP11B1 573/4885CYP11B2 1308/4885CYP1A2 1067/4885
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 CYP11B1 3382/4885CYP11B2 3279/4885CYP1A2 459/4885

“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.