SCHEMBL5675883

SCHEMBL5675883

CNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.61
KCNN4 O15554 2/20 0.59
TAAR1 Q96RJ0 5/20 0.45
ATM Q13315 1/20 0.45
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
HTR1B P28222 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1D P28221 1/20 0.41
DUT P33316 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL12264131 0.89 KIF11 (0.74) KIF11KCNN4TAAR1MEN1KMT2A
SCHEMBL29679194 0.82 KIF11 (0.65) KIF11KCNN4MEN1KMT2ADUT
SCHEMBL20823126 0.81 KIF11 (0.50) KIF11KCNN4TAAR1ATMHTR2A
SCHEMBL1133053 0.81 TAAR1 (0.43) KIF11KCNN4TAAR1ATMHTR2A
SCHEMBL8961063 0.80 KCNN4 (0.68) KIF11KCNN4TAAR1KMT2AL3MBTL1
SCHEMBL10071078 0.80 KIF11 (0.49) KIF11KCNN4TAAR1ATMHTR2A
SCHEMBL12264133 0.79 KIF11 (0.68) KIF11KCNN4TAAR1DUTSIGMAR1
SCHEMBL15577798 0.79 KCNN4 (0.67) KIF11KCNN4TAAR1HTR2AHTR1B
SCHEMBL14340670 0.79 KCNN4 (0.65) KIF11KCNN4TAAR1DUTALDH1A1
SCHEMBL147990 0.77 KIF11 (0.65) KIF11KCNN4MEN1KMT2ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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 (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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L KIF11 1411/4885KCNN4 4277/4885TAAR1 4197/4885

“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.