SCHEMBL4311389

SCHEMBL4311389

Fc1ccc(-c2c[c]on2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
MAOB P27338 1/20 0.37
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL28719886 0.84 KMO (0.43) KMOCYP11B1CYP11B2PGR
SCHEMBL9269460 0.78 ESR2 (0.47) KMOALDH1A1NOTUMMAPTMAOB
SCHEMBL4308652 0.78 RAB9A (0.40) ALDH1A1NOTUMRAB9AKDM4ENPC1
SCHEMBL1897908 0.74 NOTUM (0.47) KMONOTUMMAPTMAOBRAB9A
SCHEMBL2407790 0.72 CYP1A2 (0.51) ALDH1A1CYP1A2GAACYP2C9CYP2C19
SCHEMBL28190213 0.71 RAB9A (0.49) KMOALDH1A1CYP1A2GAACYP2C9
SCHEMBL1154499 0.69 MAPT (0.42) CYP1A2CYP2C9CYP2C19NOTUMMAPT
SCHEMBL2836170 0.69 MMP3 (0.41) ALDH1A1CYP1A2NOTUMMAPTRAB9A
SCHEMBL13741967 0.68 CYP17A1 (0.52) KMOALDH1A1CYP1A2GAACYP2C9
SCHEMBL13844498 0.68 RAB9A (0.46) KMOALDH1A1CYP1A2GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO claimed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US claimed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 KMO 4641/4885ALDH1A1 1070/4885CYP1A2 1054/4885

“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.