SCHEMBL2549470

SCHEMBL2549470

Cc1c(C(=O)O)ccn1-c1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.49
NOX4 Q9NPH5 1/20 0.41
CLCN2 P51788 1/20 0.40
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39
P2RX7 Q99572 2/20 0.39
KEAP1 Q14145 1/20 0.38
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2543774 0.85 NOTUM (0.61) NOTUMMYCNR4A1LMNA
SCHEMBL2547004 0.76 GPR27 (0.51) AVPR2LMNA
SCHEMBL1259746 0.72 MYC (0.50) NOTUMCLCN2MYCNR4A1P2RX7
SCHEMBL195310 0.70 TSHR (0.63) CLCN2MYCNR4A1P2RX7KEAP1
SCHEMBL23382307 0.69 NOTUM (0.72) NOTUMMYCNR4A1LMNA
SCHEMBL9046825 0.69 LMNA (0.51) LMNA
SCHEMBL898846 0.69 MARS1 (0.38) P2RX7
SCHEMBL786240 0.67 ALDH1A1 (0.63) CLCN2KEAP1LMNA
SCHEMBL3260482 0.66 NOTUM (1.00) NOTUMMYCNR4A1
SCHEMBL1259172 0.66 KDM4E (0.46) NOX4P2RX7LMNA

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-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 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-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 NOTUM 1658/4885NOX4 158/4885CLCN2 815/4885

“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.