SCHEMBL750341

SCHEMBL750341

CCCOc1ccc(C(=O)NCCN)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NFKB1 P19838 2/20 0.67
MAPT P10636 2/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
PLK1 P53350 1/20 0.65
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56
MMP1 P03956 1/20 0.56
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
MAOB P27338 1/20 0.55

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
SCHEMBL19723265 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL13611509 0.88 NPC1 (0.77) NPC1RAB9ASMN1; SMN2NFKB1MAPT
Hydrochloric Acid SCHEMBL4251134 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL24385912 0.85 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL3209637 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL5032803 0.83 PLK1 (0.71) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL19486142 0.82 PLK1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL11758728 0.81 NPC1 (0.77) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL7207554 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2NFKB1MAPT
SCHEMBL23254612 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2NFKB1MAPT

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 NPC1 1101/4885RAB9A 2997/4885SMN1; SMN2 3865/4885

“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.