SCHEMBL22601583

SCHEMBL22601583

CC(C)(C)c1ccc(C(=O)N2CCCCCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.56
HPGD P15428 6/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL17207186 1.00 GRM5 (0.56) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL12775428 0.98 GRM5 (0.54) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL12776418 0.95 ALDH1A1 (0.58) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL20224124 0.87 HPGD (0.61) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL20249215 0.85 HPGD (0.61) GRM5HPGDALDH1A1ALOX15HSD17B10
SCHEMBL17688887 0.85 SMN1; SMN2 (0.65) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL29944422 0.85 HPGD (0.60) GRM5HPGDALDH1A1KDM4EPOLB
SCHEMBL12776439 0.83 PLA2G7 (0.41) GRM5HPGDALDH1A1ALOX15HSD17B10
SCHEMBL20249503 0.81 L3MBTL3 (0.65)
SCHEMBL20249501 0.81 ALDH1A1 (0.54) HPGDALDH1A1POLBALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 GRM5 4768/4885HPGD 1722/4885ALDH1A1 1908/4885

“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.