SCHEMBL19998570

SCHEMBL19998570

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
KMT2A Q03164 2/20 0.38
ACP3 P15309 1/20 0.37
MAPK14 Q16539 2/20 0.36
DPP4 P27487 2/20 0.36
ENPP2 Q13822 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL21567908 0.83 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL3254719 0.80 ACHE (0.52) IDO1ACP3DPP4
SCHEMBL3259002 0.80 ACHE (0.52) IDO1ACP3DPP4
SCHEMBL12569050 0.80 ACHE (0.52) IDO1ACP3DPP4
SCHEMBL17519154 0.76 ADRB2 (0.45) IDO1KMT2AACP3DPP4NPC1
SCHEMBL19619720 0.73 SLC6A4 (0.44) KMT2AACP3DPP4HTT
SCHEMBL11080962 0.73 ENPP2 (0.45) PTGS2ENPP2
SCHEMBL17519158 0.72 CASR (0.41) IDO1KMT2AACP3DPP4RAB9A
SCHEMBL5811040 0.72 PTGS2 (0.50) PTGS2ENPP2
SCHEMBL2162305 0.71 GAA (0.57) KMT2ADPP4HTT

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-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2019-11-14 US disclosed
EP-2621275-B1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2018-03-28 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-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 IDO1 46/4885PTGS2 4132/4885PTGS1 4008/4885

“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.