SCHEMBL12328445

SCHEMBL12328445

N#Cc1cc(F)cc(C(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 2/20 0.50
▸ P2RX1 P51575 3/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 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
SCHEMBL4431047 0.87 TMPRSS4 (0.53) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14419233 0.85 P2RX1 (0.60) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL12955412 0.85 KCNH2 (0.41) —
SCHEMBL14419660 0.85 KMT2A (0.54) TMPRSS4P2RX1MEN1KMT2ALMNA
SCHEMBL12328442 0.82 POLB (0.49) MEN1KMT2ALMNAHTTMAPT
SCHEMBL14419582 0.81 KMT2A (0.48) TMPRSS4P2RX1MEN1KMT2ALMNA
SCHEMBL13743326 0.79 MRGPRX4 (0.44) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL12955413 0.79 FFAR4 (0.43) —
SCHEMBL12328680 0.79 P2RX1 (0.50) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL12328443 0.78 PTGDR2 (0.54) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781600-B1 BENZOIC ACID DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 — — EP disclosed
US-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
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
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 — — US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 — — US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 — — US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 — — 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 TMPRSS4 434/4885P2RX1 3062/4885P2RX4 3651/4885

“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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