SCHEMBL4550135

SCHEMBL4550135

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
RECQL P46063 2/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.41
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR35 Q9HC97 1/20 0.39
GAA P10253 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38

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
SCHEMBL3678053 0.88 MAPT (0.45) ALDH1A1TSHRCYP3A4HSD17B10LPL
SCHEMBL29398685 0.88 MAPT (0.45) ALDH1A1TSHRCYP3A4HSD17B10LPL
SCHEMBL190588 0.84 TDP1 (0.54) ALDH1A1TSHRCYP3A4LPLLIPG
SCHEMBL14158127 0.83 ALDH1A1 (0.56) ALDH1A1TSHRRECQLHSD17B10LPL
SCHEMBL2489484 0.83 ALDH1A1 (0.56) ALDH1A1LPLLIPGMAPTMEN1
SCHEMBL23926487 0.83 VCAM1 (0.47) ALDH1A1HSD17B10LPLLIPGMAPT
SCHEMBL30955191 0.83 VCAM1 (0.47) ALDH1A1HSD17B10LPLLIPGMAPT
SCHEMBL2658838 0.81 ALDH1A1 (0.44) ALDH1A1TSHRRECQLCYP3A4HSD17B10
SCHEMBL4771663 0.81 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4MAPTMEN1
SCHEMBL1237710 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10LPLLIPG

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
EP-4638441-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2025-10-29 EP disclosed
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS INSTITUT JEAN PAOLI & IRENE CALMETTES CENTRE REGIONAL DE LUTTE CONTRE LE CANCER (FR) 2025-03-20 US disclosed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
WO-2023135330-A1 DEOXYCYTIDINE KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-07-20 WO disclosed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 WO disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB ALDH1A1 4296/4885TSHR 4197/4885RECQL 1733/4885
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds BRD4, BRPF3, BRD3 ALDH1A1 1178/4885TSHR 2768/4885RECQL 712/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG ALDH1A1 4076/4885TSHR 4145/4885RECQL 2206/4885
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS DCK, DTYMK, TYMP ALDH1A1 1400/4885TSHR 3999/4885RECQL 1013/4885

“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.