SCHEMBL17072005

SCHEMBL17072005

CC(=O)Nc1ccc(C(C)=O)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.38
PTK2 Q05397 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
SCHEMBL13715488 0.87 KDM4E (0.62) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL13602382 0.83 POLB (0.51) KDM4EHSD17B10POLBNPC1RAB9A
SCHEMBL7754189 0.78 POLB (0.53) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL10616235 0.77 KDM4E (0.46) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL7001806 0.77 RXFP1 (0.56) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL13715404 0.77 KDM4E (0.50) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL5725486 0.76 ALDH1A1 (0.46) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL9469411 0.76 KDM4E (0.77) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL3792271 0.75 GPR35 (0.61) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL11231332 0.74 MAPT (0.49) KDM4EHSD17B10POLBMAPTNPC1

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-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-05-25 US disclosed
US-9546157-B2 Asymmetric piperidinyl-substituted ureas as medicines HELSINN HEALTHCARE SA (CH) 2017-01-17 US disclosed
WO-2015134839-A1 P-SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2015-09-11 WO disclosed
US-20150252021-A1 p-Substituted Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2015-09-10 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 (2 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-20150252021-A1 p-Substituted Asymmetric Ureas and Medical Uses Thereof UTS2R, GIPR, GPR119 KDM4E 3868/4885HSD17B10 2601/4885POLB 3980/4885
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GHSR, GPR119 KDM4E 3792/4885HSD17B10 1849/4885POLB 4551/4885

“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.