SCHEMBL6370697

SCHEMBL6370697

O=C(O)c1cc(CF)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 4/20 0.44
FDPS P14324 1/20 0.41
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC3 O15379 1/20 0.35
RAB9A P51151 2/20 0.35
CDH1 P12830 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35

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
SCHEMBL31643942 0.84 ALDH1A1 (0.42) PTPN1ALDH1A1FDPSHPGDSMN1; SMN2
SCHEMBL744240 0.81 NOTUM (0.48) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL14538015 0.79 ALDH1A1 (0.44) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL1805432 0.79 PTPN1 (0.44) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL2131964 0.79 TP53 (0.50) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL3823349 0.79 NOTUM (0.47) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL5987816 0.79 ALDH1A1 (0.44) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL19224505 0.79 ALDH1A1 (0.41) PTPN1ALDH1A1FDPSHPGDMAPT
Hydrochloric Acid SCHEMBL6822779 0.78 ALDH1A1 (0.43) PTPN1ALDH1A1FDPSHPGDMAPT
SCHEMBL1810164 0.78 SMN1; SMN2 (0.44) PTPN1ALDH1A1FDPSHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133989-A1 SMYD MODULATORS AND USES THEREOF ALT-BIO PTE. LTD. (SG) 2025-06-26 WO disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 PTPN1 842/4885ALDH1A1 2007/4885FDPS 2678/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 PTPN1 842/4885ALDH1A1 2007/4885FDPS 2678/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 PTPN1 842/4885ALDH1A1 2007/4885FDPS 2678/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 PTPN1 1119/4885ALDH1A1 2742/4885FDPS 3003/4885

“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.