SCHEMBL2634026

SCHEMBL2634026

NNC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TMPRSS4 Q9NRS4 8/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIK1 P39086 1/20 0.45
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL7983961 0.83 RAB9A (0.53) KDM4EMAPTRAB9ACYP1A2CYP2D6
SCHEMBL110827 0.82 RAB9A (0.49) KDM4EMAPTRAB9ACYP1A2CYP2D6
SCHEMBL3922426 0.81 RAB9A (0.47) KDM4EMAPTALDH1A1RAB9ACYP1A2
SCHEMBL427243 0.80 SMN1; SMN2 (0.59) KDM4EMAPTALDH1A1RAB9ACYP1A2
SCHEMBL28462798 0.80 RAB9A (0.50) KDM4EMAPTRAB9ACYP1A2CYP2D6
SCHEMBL20184142 0.80 MAPT (0.47) KDM4EMAPTALDH1A1RAB9ATP53
SCHEMBL3139113 0.80 ALDH1A1 (0.46) KDM4EMAPTALDH1A1FLT1FLT4
SCHEMBL22924533 0.80 RAB9A (0.50) KDM4EMAPTALDH1A1RAB9ACYP1A2
Hydrochloric Acid SCHEMBL4377513 0.79 RAB9A (0.46) KDM4EMAPTALDH1A1RAB9ACYP1A2
SCHEMBL10560904 0.78 ALDH1A1 (0.75) KDM4EMAPTALDH1A1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA KDM4E 3910/4885MAPT 128/4885ALDH1A1 2148/4885

“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.