SCHEMBL5396606

SCHEMBL5396606

COc1cc([N+](=O)[O-])ccc1OCC(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL6928011 0.94 KMT2A (0.53) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL10544758 0.91 PTGDR2 (0.52) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL1531280 0.87 PTGDR2 (0.63) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL1531330 0.87 KMT2A (0.54) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL9770543 0.84 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2MAPTCYP1A2
SCHEMBL9770348 0.82 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL9722709 0.82 MAPT (0.63) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL3536740 0.82 ALDH1A1 (0.60) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL16543584 0.82 HTT (0.58) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL12838161 0.81 KMT2A (0.49) KMT2AMEN1HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed
US-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 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 (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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 KMT2A 3139/4885MEN1 1201/4885HTT 4074/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS KMT2A 3839/4885MEN1 925/4885HTT 4796/4885

“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.