SCHEMBL14008752

SCHEMBL14008752

CCc1cc(Cl)ccc1N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
SLC6A4 P31645 7/20 0.33
KCNH2 Q12809 3/20 0.33
HTR2A P28223 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HSPD1 P10809 1/20 0.33

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
SCHEMBL6961977 0.86 GABRA1 (0.50) GABRA1GABRB2LMNAALDH1A1FLT1
SCHEMBL8093673 0.84 GABRA1 (0.48) GABRA1GABRB2LMNAALDH1A1FLT1
SCHEMBL27534371 0.82 CYP2A6 (0.38) GABRA1GABRB2LMNAALDH1A1SLC6A4
SCHEMBL7819545 0.82 GABRA1 (0.34) GABRA1GABRB2LMNAALDH1A1SLC6A4
SCHEMBL17009987 0.80 GABRA1 (0.47) GABRA1GABRB2LMNAALDH1A1SLC6A4
SCHEMBL332762 0.80 GABRA1 (0.47) GABRA1GABRB2LMNAALDH1A1SLC6A4
SCHEMBL11512007 0.80 GABRA1 (0.47) GABRA1GABRB2LMNAALDH1A1SLC6A4
SCHEMBL7112459 0.77 GABRA1 (0.44) GABRA1GABRB2LMNAALDH1A1SLC6A4
SCHEMBL16041220 0.77 GABRA1 (0.44) GABRA1GABRB2LMNAALDH1A1HTR2A
SCHEMBL1457266 0.76 ALDH1A1 (0.42) GABRA1GABRB2LMNAALDH1A1SLC6A4

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-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 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-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists AVPR2, AVPR1A, AVPR1B GABRA1 921/4885GABRB2 1479/4885LMNA 2466/4885

“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.