SCHEMBL3717816

SCHEMBL3717816

Cc1cccc(C(=O)NC(=S)Nc2ccc(N)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.70
ALOX12 P18054 8/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
LMNA P02545 6/20 0.70
NPC1 O15118 5/20 0.70
RAB9A P51151 4/20 0.70
HPGD P15428 2/20 0.70
STAT1 P42224 1/20 0.70
MAPT P10636 8/20 0.65
POLB P06746 2/20 0.65
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.58
CCR6 P51684 1/20 0.57
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 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
SCHEMBL3717813 0.88 ALDH1A1 (0.68) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL14096564 0.86 ALDH1A1 (0.82) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL14096575 0.86 ALDH1A1 (0.70) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL677855 0.86 TP53 (0.74) ALDH1A1LMNANPC1RAB9APOLB
SCHEMBL3053761 0.85 ALDH1A1 (0.68) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL18606716 0.85 ALDH1A1 (0.74) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL14096552 0.84 ALDH1A1 (0.74) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL13453917 0.83 ALDH1A1 (0.69) ALDH1A1ALOX12SMN1; SMN2LMNANPC1
SCHEMBL24799815 0.83 EPHX1 (0.78) ALDH1A1ALOX12SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL3718954 0.83 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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 ALDH1A1 253/4885ALOX12 511/4885SMN1; SMN2 1539/4885

“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.