SCHEMBL3717815

SCHEMBL3717815

Cc1cccc(C(=O)NC(=O)N(S)c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
KCNK3 O14649 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.43
KCNK9 Q9NPC2 2/20 0.43
MEN1 O00255 2/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 4/20 0.43
MAPT P10636 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
VNN1 O95497 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
Hydrochloric Acid SCHEMBL3714477 0.84 ALDH1A1 (0.42) HDAC6SMN1; SMN2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3718952 0.84 PARP1 (0.51) PARP1SMN1; SMN2POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3718969 0.84 PARP1 (0.51) PARP1SMN1; SMN2KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL3716765 0.83 ALDH1A1 (0.42) HDAC8HDAC6SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL3716795 0.83 PARP1 (0.55) PARP1KCNK3SMN1; SMN2KMT2AKCNK9
SCHEMBL7945534 0.81 CSF1R (0.49) PARP1KCNK3HDAC8HDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL3718811 0.80 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL3718178 0.80 CA1 (0.40) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL3718123 0.79 HDAC6 (0.45) KCNK3HDAC8HDAC6SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL3717979 0.78 BCAT2 (0.55) HDAC8HDAC6SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365508-B2 Aroyl thiourea derivatives UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-06-14 US disclosed
EP-2440522-B1 AROYLTHIOUREA AND ARYLTHIOCARBONYLUREA DERIVATIVES UNIV DUNDEE (GB) 2014-11-12 EP disclosed
US-20120149778-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE 2012-06-14 US disclosed
WO-2010142956-A2 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-16 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 (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-20120149778-A1 COMPOUNDS AR, NR5A1, NAT1 PARP1 413/4885KCNK3 1516/4885HDAC8 290/4885

“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.