SCHEMBL13743326

SCHEMBL13743326

CCOc1ccc(Cl)cc1C(=O)c1cc(F)cc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SLC2A1 P11166 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MRGPRX1 Q96LB2 1/20 0.41
▸ VNN1 O95497 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39

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
SCHEMBL14419576 0.90 SLC2A1 (0.45) MRGPRX4MAPTLMNASLC2A1KDM4E
SCHEMBL12328443 0.88 PTGDR2 (0.54) MRGPRX4MAPTSLC2A1PTGDR2
SCHEMBL12328442 0.87 POLB (0.49) MRGPRX4MAPTLMNAMEN1KMT2A
SCHEMBL12955412 0.81 KCNH2 (0.41) S1PR1S1PR3
SCHEMBL12328445 0.79 TMPRSS4 (0.50) MAPTLMNAKDM4EMEN1RECQL
SCHEMBL14419687 0.78 SLC2A1 (0.46) MRGPRX4MAPTLMNASLC2A1KDM4E
SCHEMBL13715572 0.77 SLC2A1 (0.53) MAPTLMNASLC2A1
SCHEMBL11314652 0.77 TSHR (0.51) MAPTLMNAMEN1KMT2AMRGPRX1
SCHEMBL5325030 0.77 PTGDR2 (0.57) MRGPRX4MAPTSLC2A1PTGDR2
SCHEMBL5325241 0.77 SLC2A1 (0.52) MRGPRX4MAPTSLC2A1PTGDR2

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-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 — — 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-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS POLR2A, POLR1A, RTF1 MRGPRX4 2791/4885MAPT 2396/4885LMNA 2692/4885

“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.

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