SCHEMBL19396262

SCHEMBL19396262

Cc1[nH]nc(-c2ccc(C(=O)N3CCCCC3)s2)c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.42
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRM5 P41594 1/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
CREBBP Q92793 1/20 0.39
YEATS4 O95619 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL1594309 0.85 CDK4 (0.38) LIPEHPGDALDH1A1MAPTLMNA
SCHEMBL19396263 0.83 ALDH1A1 (0.43) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL19396266 0.82 HPGD (0.47) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL19396264 0.82 LIPE (0.44) LIPEHPGDALDH1A1MAPTLMNA
SCHEMBL1594899 0.77 ALDH1A1 (0.38) LIPEHPGDALDH1A1MAPTLMNA
SCHEMBL1593562 0.73 YEATS4 (0.45) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL19396260 0.73 ALDH1A1 (0.47) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14134496 0.71 NPSR1 (0.67) HPGDALDH1A1MAPTKDM4ENPC1
SCHEMBL1594728 0.71 ALDH1A1 (0.38) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL19396267 0.68 HPGD (0.46) HPGDALDH1A1MAPTLMNASMN1; SMN2

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 LIPE 3249/4885HPGD 932/4885ALDH1A1 1300/4885

“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.