SCHEMBL4386728

SCHEMBL4386728

[CH2]c1nc2cc(C)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NQO2 P16083 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PIN1 Q13526 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
GAA P10253 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL12540 0.79 ALDH1A1 (0.50) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL1171203 0.79 NPC1 (0.51) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL18966976 0.76 CYP1A2 (0.48) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL22800202 0.76 KMT2A (0.44) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL9305161 0.76 KMT2A (0.44) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL229607 0.76 KMT2A (0.44) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL4441068 0.76 KMT2A (0.51) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL5091832 0.76 KMT2A (0.44) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL3490546 0.76 KMT2A (0.44) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL129665 0.76 FABP6 (0.60) KMT2ACYP1A2MEN1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L KMT2A 2578/4885CYP1A2 2802/4885MEN1 3978/4885

“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.