SCHEMBL1344476

SCHEMBL1344476

C[C@@H](n1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.46
CYP2C9 P11712 10/20 0.46
CYP2C19 P33261 10/20 0.46
LMNA P02545 2/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP3A7 P24462 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A43 Q9HB55 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.46
CYP1A2 P05177 6/20 0.44
CYP2D6 P10635 6/20 0.44
KCNH2 Q12809 3/20 0.44
HSP90AA1 P07900 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP51A1 Q16850 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL1344416 0.92 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1345077 0.89 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1344773 0.87 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6940988 0.87 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1344751 0.83 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1344101 0.83 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1749863 0.83 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1344219 0.82 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1345044 0.81 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1345043 0.81 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114904-B1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAE WOONG PHARMA (KR) 2013-08-21 EP claimed
US-8063229-B2 Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-11-22 US claimed
US-20100063285-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-03-11 US claimed
EP-2114904-B1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAE WOONG PHARMA (KR) 2013-08-21 EP disclosed
US-8063229-B2 Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-11-22 US disclosed
US-20100063285-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-03-11 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-20100063285-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CYP51A1, ERG28, CYP3A5 CYP3A4 7/4885CYP2C9 8/4885CYP2C19 6/4885

“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.