SCHEMBL2431097

SCHEMBL2431097

NC(=O)c1cccc(-c2cccc(C(N)=O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.64
ERN1 O75460 3/20 0.62
DHODH Q02127 3/20 0.60
TSHR P16473 2/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCNT1 O60563 1/20 0.56
CCND1 P24385 1/20 0.56
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56

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
SCHEMBL31422694 1.00 PARP1 (0.64) PARP1ERN1DHODHTSHRPOLB
SCHEMBL6999225 0.98 DHODH (0.63) PARP1ERN1DHODHTSHRPOLB
SCHEMBL29788172 0.93 DHODH (0.70) PARP1ERN1DHODHTSHRPOLB
SCHEMBL43553 0.93 DHODH (0.70) PARP1ERN1DHODHTSHRPOLB
SCHEMBL2589651 0.91 ERN1 (0.60) PARP1ERN1DHODHTSHRPOLB
Hydrochloric Acid SCHEMBL3973404 0.91 DHODH (0.68) PARP1ERN1DHODHTSHRPOLB
SCHEMBL29941476 0.91 DHODH (0.68) PARP1ERN1DHODHTSHRPOLB
Hydrochloric Acid SCHEMBL30628442 0.91 DHODH (0.68) PARP1ERN1DHODHTSHRPOLB
SCHEMBL18397582 0.91 KMO (0.70) PARP1ERN1DHODHTSHRPOLB
Bromide SCHEMBL30159854 0.91 DHODH (0.68) PARP1ERN1DHODHTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004093-A2 THERAPEUTIC COMPOSITIONS INCLUDING GALECTIN-3 INHIBITORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-01-07 WO disclosed
EP-1751171-B1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2011-09-21 EP disclosed
US-7638623-B2 Galactoside inhibitors of galectins FORSKARPATENT I SYD AB (SE) 2009-12-29 US disclosed
US-20070185039-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2007-08-09 US disclosed
US-5064832-A Bipyrimidine Compounds, Antitumor Agents CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-4968804-A Bipyridine compounds CIBA-GEIGY CORPORATION (US) 1990-11-06 US disclosed
EP-0350448-A1 Biaryl compounds CIBA-GEIGY AG (CH) 1990-01-10 EP 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-20070185039-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS LGALS3, LGALS1, LGALS2 PARP1 1590/4885ERN1 1829/4885DHODH 4799/4885

“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.