SCHEMBL1310971

SCHEMBL1310971

O=C(NNc1cccc2c1ncc1cccn12)c1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
NPC1 O15118 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
HTR2C P28335 2/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL1312684 0.79 KDM4E (0.37) GSK3BNPC1KMT2AMEN1KDM4E
SCHEMBL1311606 0.78 GAA (0.41) NPC1KDM4ERAB9AALDH1A1GAA
SCHEMBL1147715 0.74 GSK3B (0.54) GSK3BNPC1KMT2AMEN1ALDH1A1
SCHEMBL1312899 0.66 KDM4E (0.49) NPC1KMT2AMEN1KDM4ERAB9A
SCHEMBL30608284 0.63 MAPT (0.69) NPC1KMT2AMEN1KDM4ERAB9A
SCHEMBL28577422 0.62 MEN1 (0.65) NPC1KMT2AMEN1RAB9AALDH1A1
SCHEMBL31411210 0.62 GPR84 (0.67) NPC1KMT2AMEN1KDM4ERAB9A
SCHEMBL20567854 0.62 NPC1 (0.68) NPC1KMT2AMEN1RAB9AALDH1A1
SCHEMBL21446804 0.61 ALDH1A1 (0.67) NPC1KMT2AMEN1KDM4ERAB9A
SCHEMBL27075304 0.61 NPC1 (0.68) NPC1KMT2AMEN1KDM4ERAB9A

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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG GSK3B 2699/4885NPC1 3375/4885KMT2A 3961/4885

“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.