SCHEMBL3938201

SCHEMBL3938201

SC(c1cccnc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
KCNA5 P22460 7/20 0.46
KCND3 Q9UK17 1/20 0.46
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
CFTR P13569 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KCNH2 Q12809 2/20 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
Ammonia Solution, Strong SCHEMBL5999891 0.77 CYP19A1 (0.50) CYP19A1KCNA5KCND3SLC6A4SLC6A2
SCHEMBL7104569 0.77 IDO1 (0.55) ALDH1A1LMNATSHRIDO1TDO2
Ammonia Solution, Strong SCHEMBL5999989 0.73 CYP19A1 (0.46) CYP19A1KCNA5KCND3SLC6A4SLC6A2
SCHEMBL1581601 0.73 CFTR (0.46) CYP19A1KCNA5SLC6A4SLC6A2CFTR
SCHEMBL11629773 0.70 SMN1; SMN2 (0.62) CYP19A1KCNA5KCND3SLC6A4SLC6A2
SCHEMBL6502308 0.70 CYP19A1 (0.50) CYP19A1KCNA5SLC6A4SLC6A2CFTR
Ammonia Solution, Strong SCHEMBL6000004 0.69 CYP19A1 (0.49) CYP19A1KCNA5SLC6A4SLC6A2CFTR
SCHEMBL8467494 0.69
SCHEMBL27427743 0.69
SCHEMBL177612 0.69

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 CYP19A1 3713/4885KCNA5 1694/4885KCND3 2742/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 CYP19A1 3649/4885KCNA5 1717/4885KCND3 2718/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 CYP19A1 3478/4885KCNA5 1667/4885KCND3 2217/4885

“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.