SCHEMBL742429

SCHEMBL742429

CCC(=O)NC(=S)Nc1ccccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
ALDH1A1 P00352 10/20 0.63
KDM4E B2RXH2 6/20 0.63
POLB P06746 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ABCC1 P33527 1/20 0.58
KMT2A Q03164 3/20 0.55
ALOX12 P18054 1/20 0.55
MAPT P10636 1/20 0.55
MASP2 O00187 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL29543730 0.84 KMT2A (0.70) NPSR1ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL111479 0.84 KMT2A (0.70) NPSR1ALDH1A1KDM4EPOLBSMN1; SMN2
Phenol SCHEMBL28121926 0.80 KMT2A (0.64) ALDH1A1KDM4EPOLBSMN1; SMN2ABCC1
SCHEMBL5129490 0.79 KDM4E (0.63) ALDH1A1KDM4EPOLBABCC1KMT2A
SCHEMBL10035491 0.78 KMT2A (0.71) ALDH1A1KDM4EPOLBSMN1; SMN2ABCC1
SCHEMBL31212658 0.76 CA1 (0.71) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL5455412 0.76 CA1 (0.71) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL3627546 0.75 MASP2 (0.62) ALDH1A1KDM4EPOLBABCC1KMT2A
SCHEMBL14906959 0.75 MASP2 (0.67) ALDH1A1KDM4EPOLBABCC1KMT2A
SCHEMBL9532980 0.75 CYP2C9 (0.69) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 US 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 NPSR1 3006/4885ALDH1A1 1860/4885KDM4E 1876/4885

“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.