SCHEMBL1104760

SCHEMBL1104760

Fc1cccc(Cn2ccc3cccnc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 3/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
STAT6 P42226 1/20 0.46
DBH P09172 1/20 0.46
MAOB P27338 1/20 0.44
SLC2A1 P11166 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL38652180 1.00 KDM4E (0.56) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
Ethoxycarbonyl Group SCHEMBL27894613 0.86 KDM4E (0.47) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9278020 0.84 TP53 (0.45) KDM4ECYP1A2CYP2C19MAPTCYP11B1
SCHEMBL30828413 0.83 ATM (0.57) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38652459 0.83 HTT (0.56) KDM4EMAPTCYP11B1CYP11B2ALDH1A1
SCHEMBL38652062 0.82 KMT2A (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL324010 0.82 KMT2A (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3537897 0.80 LPO (0.55) KDM4ECYP1A2CYP3A4CYP2C19MAPT
SCHEMBL16035284 0.79 STAT6 (0.45) CYP11B1CYP11B2ALDH1A1STAT6DBH
SCHEMBL29643774 0.78 PTK2 (0.49) KDM4EATMCYP11B1ALDH1A1KMT2A

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
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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 (2 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 KDM4E 2247/4885CYP1A2 42/4885CYP3A4 31/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 KDM4E 2247/4885CYP1A2 42/4885CYP3A4 31/4885

“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.