SCHEMBL19396265

SCHEMBL19396265

C=CCc1c(-c2ccc(C(=O)N3CCCCC3)s2)nn(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
HPGD P15428 7/20 0.43
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
YEATS4 O95619 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP2 O75604 1/20 0.36
CREBBP Q92793 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35

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
SCHEMBL19396270 0.86 ALDH1A1 (0.46) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL1594608 0.86 YEATS4 (0.42) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL19396264 0.83 LIPE (0.44) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL19396267 0.83 HPGD (0.46) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL19396263 0.81 ALDH1A1 (0.43) ALDH1A1HPGDPOLBSMN1; SMN2YEATS4
SCHEMBL17624645 0.75 MAPT (0.47) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL1593936 0.74 ALDH1A1 (0.43) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL1594728 0.74 ALDH1A1 (0.38) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL1593824 0.74 YEATS4 (0.44) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1
SCHEMBL1594899 0.72 ALDH1A1 (0.38) ALDH1A1HPGDPOLBSMN1; SMN2NPSR1

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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885HPGD 932/4885POLB 844/4885

“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.