SCHEMBL5651493

SCHEMBL5651493

COCCOc1cccc2c1[N]CC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.38
TIPARP Q7Z3E1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM7 Q14831 1/20 0.33
EGFR P00533 1/20 0.33
TSHR P16473 1/20 0.33
NCF1 P14598 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL9404780 0.82 MCHR1 (0.45) MEN1KMT2ATSHRNCF1
SCHEMBL9404769 0.73 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2298646 0.73 TIPARP (0.41) KDM1ATIPARPALDH1A1GRM7SCN9A
SCHEMBL18574221 0.72 HTR1B (0.47) KDM1AMEN1KMT2ASMN1; SMN2
SCHEMBL301029 0.70 NPC1 (0.41)
SCHEMBL2974587 0.69 MAPT (0.56) ALDH1A1TSHRSMN1; SMN2
SCHEMBL4976411 0.69 SRC (0.44) TIPARPGRM7EGFR
SCHEMBL23352277 0.68 CYP1A2 (0.44) KDM1ANCF1SMN1; SMN2
SCHEMBL14861020 0.68 HTR2C (0.42) KDM1ATIPARPALDH1A1GRM7TSHR
SCHEMBL18561728 0.67 SMN1; SMN2 (0.48) KDM1ASMN1; SMN2

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-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 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-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE5A, PDE7A KDM1A 1058/4885TIPARP 1930/4885ALDH1A1 1223/4885

“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.