SCHEMBL540364

SCHEMBL540364

c1cn(N2CCCC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
QPCT Q16769 1/20 0.35
HSD17B10 Q99714 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
CYP2B6 P20813 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
TBXAS1 P24557 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL1268157 0.98 CYP2B6 (0.35) NFKB1QPCTHSD17B10QPCTLCYP2B6
SCHEMBL21490423 0.98 CYP2B6 (0.35) NFKB1QPCTHSD17B10QPCTLCYP2B6
Hydrochloric Acid SCHEMBL8473908 0.93 NFKB1 (0.33) NFKB1QPCTHSD17B10QPCTLCYP2B6
Pyrimidine SCHEMBL28401409 0.88 CYP1A2 (0.32) CYP2B6CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL20445968 0.82 CHRNB2 (0.36)
SCHEMBL8060339 0.79 NFKB1 (0.36) NFKB1QPCTHSD17B10QPCTLCYP1A2
SCHEMBL8129527 0.79 ADRB2 (0.36) NFKB1QPCTHSD17B10QPCTL
SCHEMBL21047582 0.76 CYP11B1 (0.33) QPCT
SCHEMBL21047688 0.75 ACHE (0.32)
Fluoride SCHEMBL7489522 0.74 CYP1A2 (0.33) NFKB1QPCTHSD17B10QPCTLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 CN disclosed
CN-109772459-A A kind of chirality polyacid Base Metal organic framework materials and its preparation method and application 河南大学 2019-05-21 CN disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
EP-3221318-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-09-27 EP disclosed
CN-104487429-B Heterocycle chromocor derivative, composition and relative method 爱默蕾大学 2017-07-14 CN disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 WO disclosed
CN-102448956-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-05-06 CN disclosed
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
CN-102414199-B Diaryl ethers TIBOTEC PHARM LTD 2014-03-05 CN disclosed
US-6362188-B1 ANTICANCER AGENTS SCHERING CORPORATION 2002-03-26 US disclosed
US-20010039292-A1 Lipoic acid analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2001-11-08 US disclosed
US-6235772-B1 OXIDATION RESISTANCE; ATHEROSCLEROSIS; AUTOIMMUNE DISEASES; BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-05-22 US disclosed
EP-1061914-A1 LIPOIC ACID ANALOGS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-27 EP disclosed
US-6090842-A REDUCES CONCENTRATION OF OXYGEN IN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-18 US disclosed
CN-1252806-A Dolastatin-15 derivatives having carbonyl and heterocyclic functional groups at the C-terminus BASF AG (DE) 2000-05-10 CN disclosed
EP-0981539-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
WO-1999045922-A1 LIPOIC ACID ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-16 WO disclosed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 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 (1 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-20010039292-A1 Lipoic acid analogs ALOX5, ALOX15, ACSL5 NFKB1 484/4885QPCT 1652/4885HSD17B10 96/4885

“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.