SCHEMBL305926

SCHEMBL305926

COC(=O)c1cccc([N+](=O)[O-])c1/C=C/N(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
VCAM1 P19320 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AR P10275 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL305927 1.00 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL305920 0.85 TSHR (0.55) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL305921 0.85 TSHR (0.55) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL306855 0.85 TSHR (0.55) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL8229657 0.83 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26247169 0.82 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL28062978 0.81 TDP1 (0.48) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL824981 0.81 TDP1 (0.48) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13987121 0.81 TSHR (0.40) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL9640703 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57085368-A None JP disclosed
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-7196088-B2 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
US-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition YANG JI CHEMICAL COMPANY LTD (KR) 2004-04-08 US disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
JP-S5785368-A SUBSTITUTED INDOLE NISSAN CHEM IND LTD 1982-05-28 JP 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-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition IDO1, IDO2, TPH1 ALDH1A1 3031/4885TSHR 4406/4885SMN1; SMN2 4643/4885

“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.