SCHEMBL12467195

SCHEMBL12467195

NC(=O)c1cc(C(F)(F)F)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.36
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ RAPGEF3 O95398 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL24939143 0.85 SMN1; SMN2 (0.38) KMT2ALMNARAPGEF3SMN1; SMN2ALDH1A1
SCHEMBL6371376 0.82 ALDH1A1 (0.44) CNR1CNR2RAPGEF3SMN1; SMN2ALDH1A1
SCHEMBL1515627 0.80 ALDH1A1 (0.49) KMT2ALMNARAPGEF3SMN1; SMN2ALDH1A1
SCHEMBL25286222 0.80 SMN1; SMN2 (0.36) KMT2ACNR1CNR2RAPGEF3SMN1; SMN2
SCHEMBL31226373 0.79 P2RX7 (0.46) KMT2ASMN1; SMN2ALDH1A1MAPK1HTT
Hydrochloric Acid SCHEMBL3712256 0.78 ALDH1A1 (0.48) KMT2ALMNARAPGEF3SMN1; SMN2ALDH1A1
SCHEMBL19980443 0.78 KMT2A (0.38) KMT2AALDH1A1
SCHEMBL14351779 0.78 SMN1; SMN2 (0.34) KMT2ALMNARAPGEF3SMN1; SMN2ALDH1A1
SCHEMBL6370812 0.77 SMN1; SMN2 (0.40) LMNASMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL24112995 0.76 HDAC4 (0.43) RAPGEF3SMN1; SMN2ALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 — — WO claimed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 — — EP claimed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US claimed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 — — US claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — WO claimed
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 — — US disclosed
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
WO-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 — — WO disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 — — EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 — — US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 — — US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — WO 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 (2 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR KMT2A 323/4885LMNA 886/4885CNR1 269/4885
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 KMT2A 1583/4885LMNA 735/4885CNR1 333/4885

“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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