SCHEMBL3073117

SCHEMBL3073117

Cc1ccc(Cl)c2sc(N3CCCNCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 5/20 0.60
TP53 P04637 4/20 0.60
POLB P06746 2/20 0.56
ALOX15 P16050 2/20 0.50
SLC2A1 P11166 1/20 0.47
PRKCI P41743 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3062926 0.81 MAPT (0.58) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL15065374 0.77 MAPT (0.55) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL3076538 0.75 SMN1; SMN2 (0.56) ALDH1A1HPGDLMNAMAPTTP53
SCHEMBL3082154 0.72 MAPT (0.68) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL8512161 0.70 ALDH1A1 (0.47) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL8514102 0.70 MAPT (0.60) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL3084617 0.69 MAPT (0.80) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL3075331 0.69 ALDH1A1 (0.59) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL24648643 0.69 RAB9A (0.55) ALDH1A1HPGDLMNAMAPTALOX15
SCHEMBL21533600 0.68 ADRB1 (0.65) ALDH1A1LMNAMAPTTP53SMN1; 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-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 2369/4885HPGD 781/4885LMNA 4272/4885

“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.