SCHEMBL2967403

SCHEMBL2967403

Cc1cccc(N(F)C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL10012179 0.79 ACHE (0.46) ACHEALDH1A1MAPK1RECQLHSD17B1
SCHEMBL2095103 0.78 HSD17B1 (0.46) ACHEALDH1A1RECQLHSD17B1HSD17B2
SCHEMBL28092078 0.76 ACHE (0.52) ACHEALDH1A1MAPK1RECQLHSD17B1
SCHEMBL977663 0.75 ACHE (0.58) ACHEALDH1A1MAPK1RECQLHSD17B1
SCHEMBL9292809 0.74 RECQL (0.41) ACHEALDH1A1RECQLHSD17B1HSD17B2
SCHEMBL10825682 0.74 ACHE (0.41) ACHEALDH1A1MAPK1RECQLHSD17B1
SCHEMBL9216448 0.74 RAB9A (0.42) ACHEALDH1A1RECQLHSD17B1HSD17B2
SCHEMBL8272457 0.74 HPGD (0.43) ACHEALDH1A1HPGDHSD17B10RAB9A
SCHEMBL3237452 0.73 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL29692933 0.73 ACHE (0.55) ACHEALDH1A1MAPK1RECQLHSD17B1

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
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ACHE 3889/4885ALDH1A1 2723/4885MAPK1 2917/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ACHE 3889/4885ALDH1A1 2723/4885MAPK1 2917/4885

“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.