SCHEMBL104398

SCHEMBL104398

CC(=O)c1cc(C)nnc1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 9/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30886668 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL104257 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11910412 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2ALDH1A1KDM4EMAPK1
SCHEMBL25863824 0.75 SMN1; SMN2 (0.41) SMN1; SMN2GAACYP1A2ALDH1A1KDM4E
SCHEMBL1640378 0.73 SMN1; SMN2 (1.00) SMN1; SMN2GAAALDH1A1KDM4EMEN1
SCHEMBL10134734 0.72 KDM4E (0.40) SMN1; SMN2GAACYP1A2ALDH1A1KDM4E
SCHEMBL12872695 0.72 CYP2C9 (0.35) ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL12647217 0.68 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1KDM4EKMT2A
SCHEMBL19050133 0.68 SMN1; SMN2 (0.78) SMN1; SMN2GAAALDH1A1KDM4ETSHR
SCHEMBL25305134 0.67 CSNK2A1 (0.41) SMN1; SMN2CYP1A2ALDH1A1KDM4ETSHR

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-20230234945-A1 AZABICYCLYL-SUBSTITUTED HETEROCYCLES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-07-27 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 SMN1; SMN2 4581/4885GAA 4229/4885CYP1A2 1779/4885
US-20230234945-A1 AZABICYCLYL-SUBSTITUTED HETEROCYCLES AS FUNGICIDES CYP1B1, DDT, CYP1A1 SMN1; SMN2 4535/4885GAA 805/4885CYP1A2 8/4885

“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.