SCHEMBL6981624

SCHEMBL6981624

O=[N+]([O-])c1cc(C2CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
GPR35 Q9HC97 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.51
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL10532966 0.93 ACMSD (0.53) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL28096306 0.92 HSP90AA1 (0.55) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL10534783 0.92 HSP90AA1 (0.55) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL4574951 0.90 MAPK1 (0.49) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL11163887 0.86 CYP2C9 (0.49) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL11163840 0.86 CYP2C9 (0.49) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL19899529 0.86 GPR35 (0.55) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL27038239 0.85 MAPK1 (0.50) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL9375032 0.82 CYP2C9 (0.40) MAPK1GPR35ALDH1A1TP53HPGD
SCHEMBL9375042 0.82 CYP2C9 (0.40) MAPK1GPR35ALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
CN-109923111-A ANTIBIOTIC COMPOUNDS 迪斯库瓦有限公司 2019-06-21 CN disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
CN-1147482-C Substittued (dihydro)benzoxazole and (dihydro)benzoxazine compound and their preparation and medicine composite ɪά��ʵ���� 2004-04-28 CN disclosed
US-6620809-B2 Useful in treating or in preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-09-16 US disclosed
EP-1106608-B1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-05 EP disclosed
CN-1308069-A Substittued (dihydro)benzoxazole and (dihydro)benzoxazine compound and their preparation and medicine composite ADIR (FR) 2001-08-15 CN disclosed
US-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds LES LABORATOIRES SERVIER (FR) 2001-06-14 US disclosed
EP-1106608-A1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-06-13 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-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds MTNR1A, MTNR1B, SQOR MAPK1 2118/4885GPR35 249/4885ALDH1A1 79/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 MAPK1 1898/4885GPR35 1158/4885ALDH1A1 3333/4885

“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.