SCHEMBL2543774

SCHEMBL2543774

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.61
MYC P01106 2/20 0.51
NR4A1 P22736 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GABRA2 P47869 4/20 0.49
GABRB2 P47870 4/20 0.49
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RPA1 P27694 1/20 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
SCHEMBL2549470 0.85 NOTUM (0.49) NOTUMMYCNR4A1LMNA
SCHEMBL23382307 0.78 NOTUM (0.72) NOTUMMYCNR4A1LMNASMN1; SMN2
SCHEMBL15998946 0.76 NOTUM (1.00) NOTUMMYCNR4A1ALDH1A1HPGD
SCHEMBL15168106 0.74 LMNA (0.59) NOTUMMYCNR4A1LMNATSHR
SCHEMBL19048417 0.72 NOTUM (0.72) NOTUMMYCNR4A1LMNATSHR
SCHEMBL4540024 0.72 POLB (0.53) NOTUMMYCNR4A1LMNATSHR
SCHEMBL111279 0.68 TSHR (1.00) MYCNR4A1TSHRCASP1SMN1; SMN2
SCHEMBL3260482 0.68 NOTUM (1.00) NOTUMMYCNR4A1ALDH1A1MAPK1
SCHEMBL13856184 0.68 MYC (1.00) NOTUMMYCNR4A1ALDH1A1TP53
SCHEMBL25333760 0.68 KMT2A (0.67) NOTUMLMNAGABRA2GABRB2RPA1

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 1658/4885MYC 3878/4885NR4A1 190/4885

“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.