SCHEMBL20601302

SCHEMBL20601302

COC(=O)N1CCC(CC(NC(=O)c2ccc(Cl)s2)C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
F10 P00742 8/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL20601303 1.00 SMN1; SMN2 (0.42) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20601408 1.00 SMN1; SMN2 (0.42) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20618514 0.92 KDM4E (0.49) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20618546 0.92 SMN1; SMN2 (0.43) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20618560 0.92 KDM4E (0.49) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20601509 0.92 SMN1; SMN2 (0.43) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20601458 0.92 KDM4E (0.49) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20601508 0.92 SMN1; SMN2 (0.43) SMN1; SMN2F10KMT2AALDH1A1HPGD
SCHEMBL20601386 0.90 KDM4E (0.45) SMN1; SMN2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL20601241 0.90 KDM4E (0.45) SMN1; SMN2KMT2AALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 SMN1; SMN2 2957/4885F10 4553/4885KMT2A 1143/4885

“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.