SCHEMBL1310609

SCHEMBL1310609

O=C(NNc1cccc2c1ncc1cccn12)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
FTO Q9C0B1 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 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
SCHEMBL1312684 0.79 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1311606 0.74 GAA (0.41) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1310608 0.72 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL28871770 0.68 GAA (0.69) HTTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31006493 0.68 GAA (0.69) HTTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5361880 0.68 HDAC1 (0.74) ALDH1A1SMN1; SMN2CYP2C19GAAKMT2A
SCHEMBL1312899 0.67 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1
Hydrochloric Acid SCHEMBL1147720 0.67 POLB (0.44) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL11832072 0.65 PTGS2 (0.68) ALDH1A1CYP2C19GAAHDAC1HDAC6
SCHEMBL31006498 0.65 PTGS2 (0.68) ALDH1A1CYP2C19GAAHDAC1HDAC6

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 HTT 2227/4885KDM4E 3815/4885ALDH1A1 1365/4885

“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.