SCHEMBL5889822

SCHEMBL5889822

CCc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.71
PKM P14618 1/20 0.71
NPY1R P25929 1/20 0.71
NPY2R P49146 1/20 0.71
PRNP P04156 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
PPARG P37231 1/20 0.63
HIF1A Q16665 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NR2E3 Q9Y5X4 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
MAPT P10636 4/20 0.61
GAA P10253 2/20 0.60
KDM4E B2RXH2 2/20 0.60

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
SCHEMBL2235162 1.00 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6001705 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6847834 0.83 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29368058 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9400646 0.80 MAPT (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL28808509 0.79 MEN1 (0.72) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL18092607 0.79 MEN1 (0.72) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL3107611 0.79 PRNP (0.71) ALDH1A1MEN1KMT2APRNPCYP1A2
SCHEMBL1553071 0.79 NPSR1 (0.71) ALDH1A1MEN1KMT2APOLBPRNP
SCHEMBL7155170 0.78 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926275-B2 Allosteric modulators of the cannabinoid 1 receptor NORTHEASTERN UNIVERSITY (US) 2018-03-27 US disclosed
US-9926275-B2 Allosteric modulators of the cannabinoid 1 receptor NORTHEASTERN UNIVERSITY (US) 2018-03-27 US disclosed
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2016-07-07 US disclosed
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2016-07-07 US disclosed
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2016-07-07 US disclosed
WO-2015027160-A2 ALLOSTERIC MODULATORS OF THE CANNIBINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2015-02-26 WO disclosed
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 CN disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (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-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR CNR1, CNR2, GPR119 ALDH1A1 2771/4885MEN1 4210/4885KMT2A 1905/4885
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 ALDH1A1 1150/4885MEN1 68/4885KMT2A 4404/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 ALDH1A1 1150/4885MEN1 68/4885KMT2A 4404/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 ALDH1A1 597/4885MEN1 2291/4885KMT2A 3834/4885

“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.