SCHEMBL4719966

SCHEMBL4719966

Nc1ccc(CCO)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 4/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
LMNA P02545 1/20 0.51
ADRB2 P07550 1/20 0.45
PKM P14618 1/20 0.44
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL12798874 0.89 TDP1 (0.62) TSHRTDP1POLBMEN1KMT2A
SCHEMBL4588943 0.86 TDP1 (0.58) TSHRTDP1POLBMEN1KMT2A
SCHEMBL11295679 0.84 TDP1 (0.56) TSHRTDP1POLBMEN1KMT2A
SCHEMBL992165 0.84 TDP1 (0.61) TSHRTDP1POLBMEN1KMT2A
SCHEMBL10608137 0.84 TSHR (0.58) TSHRPOLBMAPTALDH1A1CYP3A4
SCHEMBL5952783 0.83 TSHR (0.56) TSHRTDP1POLBMEN1KMT2A
SCHEMBL27947665 0.83 TDP1 (0.55) TSHRTDP1POLBMEN1KMT2A
SCHEMBL28618452 0.82 TSHR (0.51) TSHRTDP1POLBMEN1KMT2A
SCHEMBL8781834 0.82 LMNA (0.55) TSHRTDP1POLBMEN1KMT2A
SCHEMBL30989211 0.82 TDP1 (0.62) TSHRTDP1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016273-A1 ISOQUINOLINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USES OF ISOQUINOLINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION 拜西欧斯(北京)生物技术有限公司 2025-01-23 WO disclosed
CN-110035739-A Dye composite comprising 12- hydroxy stearic acid, organic amine and dyestuff 欧莱雅 2019-07-19 CN disclosed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-20080287430-A1 Furan Compounds Useful As Ep1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
EP-1874749-A1 FURAN COMPOUNDS USEFUL AS EPl RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
EP-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114272-A1 FURAN COMPOUNDS USEFUL AS EPl RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
EP-1212096-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME Brenner, Sydney (US) 2002-06-12 EP disclosed
WO-2001013958-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME BRENNER SYDNEY (US) 2001-03-01 WO disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP 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 (2 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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 TSHR 322/4885TDP1 4108/4885POLB 2637/4885
US-20080287430-A1 Furan Compounds Useful As Ep1 Receptor Antagonists PTGER1, PTGER2, PTGER3 TSHR 277/4885TDP1 3873/4885POLB 3712/4885

“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.