SCHEMBL21164625

SCHEMBL21164625

Cc1cccc(-c2cc(NC(=O)C(C)C)[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 5/20 0.44
ADORA2A P29274 5/20 0.44
RAF1 P04049 4/20 0.44
ADORA1 P30542 3/20 0.44
BRAF P15056 1/20 0.43
MAPT P10636 3/20 0.42
ADORA2B P29275 1/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK8 P45983 1/20 0.41
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL18181943 0.85 HSD17B10 (0.47) SMN1; SMN2RAB9AKDM4EALDH1A1ADORA2A
SCHEMBL18177831 0.82 LMNA (0.53) SMN1; SMN2KDM4ERAF1ADORA1BRAF
SCHEMBL4062589 0.76 CACNA1G (0.44) ADORA3ADORA2AADORA1MAPTADORA2B
Hydrochloric Acid SCHEMBL4063245 0.75 ADORA1 (0.52) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL18177861 0.74 MAPT (0.48) SMN1; SMN2RAB9AALDH1A1MAPTNPC1
SCHEMBL13827682 0.74 ALDH1A1 (0.41) SMN1; SMN2RAB9AKDM4EALDH1A1ADORA1
SCHEMBL4502197 0.73 AAK1 (0.64) GSK3AGSK3B
SCHEMBL31178157 0.72 TP53 (0.71) SMN1; SMN2TP53MAPK8GSK3B
SCHEMBL16150892 0.71 MEN1 (0.48) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL29114911 0.71 MAPT (0.65) RAB9AADORA3ADORA2AADORA1MAPT

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 SMN1; SMN2 4517/4885RAB9A 3191/4885KDM4E 1755/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 SMN1; SMN2 4517/4885RAB9A 3191/4885KDM4E 1755/4885

“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.