SCHEMBL7622774

SCHEMBL7622774

COC(=O)c1cc(-n2cn[nH]c2=S)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.40
ESR2 Q92731 2/20 0.36
MYC P01106 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 1/20 0.36
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7628550 0.89 ALDH1A1 (0.56) ALDH1A1PKMKMT2AMEN1TDP1
SCHEMBL7491051 0.78 USP7 (0.39) ALDH1A1KMT2AFGFR1SRCTDP1
SCHEMBL7628650 0.72 FGFR1 (0.42) ALDH1A1KMT2AMEN1FGFR1SRC
SCHEMBL7622825 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AFGFR1SRCTDP1
SCHEMBL27480025 0.70 HTT (0.62) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6424185 0.70 TP53 (0.61) ALDH1A1PKMKMT2AMEN1MAPT
SCHEMBL7830164 0.70 ALDH1A1 (0.49) ALDH1A1KMT2AFGFR1SRCMYC
SCHEMBL17185677 0.69 NOTUM (0.42) ALDH1A1KMT2AMEN1ESR2MYC
SCHEMBL19579582 0.69 ACVR1 (0.51) KMT2AMEN1KDM4E
SCHEMBL23292639 0.68 MAPT (0.48) ALDH1A1KMT2AFGFR1SRCMAPT

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-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 ALDH1A1 953/4885PKM 2920/4885KMT2A 1358/4885

“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.