SCHEMBL3604447

SCHEMBL3604447

O=C(Cc1csc(N(Cc2cccnc2)C(=O)O)n1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 2/20 0.40
MAPT P10636 6/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 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
SCHEMBL3615351 0.92 GSTO1 (0.47) GSTO1ALDH1A1KDM4EMAPTTP53
SCHEMBL3603373 0.84 ALDH1A1 (0.46) GSTO1ALDH1A1KDM4EMAPTTP53
SCHEMBL25840683 0.80 F2 (0.50) ALDH1A1CYP2C9NAMPTMAPTPOLB
SCHEMBL13316885 0.78 F2 (0.47) ALDH1A1CYP2C9NAMPTMAPTHRH3
SCHEMBL20014214 0.78 F2 (0.48) HRH3F2F10
SCHEMBL3600139 0.76 GSTO1 (0.52) GSTO1KDM4EMAPTTP53POLB
SCHEMBL3610003 0.75 GSTO1 (0.53) GSTO1MAPTTP53POLBL3MBTL1
SCHEMBL3607138 0.75 SIGMAR1 (0.65)
SCHEMBL3614294 0.74 GSTO1 (0.50) GSTO1ALDH1A1MAPTTP53POLB
SCHEMBL19820647 0.72 HSD17B10 (0.47) ALDH1A1KDM4EMAPTTDP1L3MBTL1

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 GSTO1 3849/4885ALDH1A1 370/4885KDM4E 3755/4885

“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.