SCHEMBL3075331

SCHEMBL3075331

Cc1ccc(C)c2sc(N3CCC[N]CC3)nc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 6/20 0.54
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
SLC2A1 P11166 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL3073117 0.69 ALDH1A1 (0.60) ALDH1A1MAPTTP53SMN1; SMN2HPGD
SCHEMBL3075030 0.69 MAPT (0.56) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL9794796 0.68 L3MBTL1 (0.46) ALDH1A1TP53SMN1; SMN2HPGDLMNA
SCHEMBL3549560 0.68 RAB9A (0.61) ALDH1A1MAPTTP53SMN1; SMN2TSHR
SCHEMBL3086401 0.68 MAPT (0.66) ALDH1A1MAPTTP53HPGDLMNA
SCHEMBL14266195 0.66 ALDH1A1 (0.52) ALDH1A1MAPTTP53SMN1; SMN2HPGD
SCHEMBL3075675 0.64 NPC1 (0.60) ALDH1A1MAPTTP53SMN1; SMN2HPGD
SCHEMBL3552178 0.64 NPC1 (0.77) ALDH1A1MAPTSMN1; SMN2POLBRAB9A
SCHEMBL28339173 0.63 ALDH1A1 (0.53) ALDH1A1MAPTTP53SMN1; SMN2HPGD
SCHEMBL3120227 0.63 NOS3 (0.38) ALDH1A1L3MBTL1

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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 ALDH1A1 2369/4885MAPT 3696/4885TP53 4870/4885

“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.