SCHEMBL13301014

SCHEMBL13301014

CC(N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
CYP3A4 P08684 10/20 0.46
CYP2C9 P11712 9/20 0.46
CYP2C19 P33261 9/20 0.46
CYP1A2 P05177 6/20 0.46
CYP2D6 P10635 6/20 0.46
KCNH2 Q12809 3/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP3A43 Q9HB55 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.45
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3228758 0.91 CYP3A4 (0.51) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13301005 0.91 CYP3A4 (0.51) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3226039 0.89 CYP3A4 (0.47) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13301010 0.89 CYP3A4 (0.47) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3331934 0.88 CYP3A4 (0.48) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13301007 0.88 CYP3A4 (0.48) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13300999 0.88 CYP3A4 (0.56) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3336722 0.88 CYP3A4 (0.56) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3228670 0.87 CYP3A4 (0.49) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13300997 0.87 CYP3A4 (0.49) RAB9ACYP3A4CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 RAB9A 2101/4885CYP3A4 7/4885CYP2C9 24/4885

“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.