SCHEMBL9288138

SCHEMBL9288138

Cc1ccc(-n2cnc(C)c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HCAR1 Q9BXC0 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP11B2 P19099 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL22143673 0.83 MKNK1 (0.52) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL27399076 0.83 PTGS2 (0.51) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL19214262 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL22510633 0.83 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL24784278 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL29205308 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL9259435 0.80 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL9288001 0.79 MKNK1 (0.47) ALDH1A1HPGDHCAR1KDM4EALOX15
SCHEMBL23432273 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL6754277 0.71 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2D6HPGDHIF1A

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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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 (2 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP ALDH1A1 3654/4885CYP1A2 1696/4885CYP2D6 464/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 ALDH1A1 1311/4885CYP1A2 4381/4885CYP2D6 3250/4885

“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.