SCHEMBL23229656

SCHEMBL23229656

CC1(C)CC(=O)C(C#N)=C(N2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRCA1 P38398 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL24416703 0.97 MEN1 (0.44) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24416184 0.88 MEN1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24415418 0.83 MEN1 (0.43) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24415999 0.83 MEN1 (0.38) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24415486 0.82 MAPT (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24416188 0.82 MAPT (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24415194 0.82 MAPT (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24421843 0.81 MAPT (0.36) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24416581 0.81 MAOA (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL24415208 0.80 MAPT (0.33) MEN1KMT2AMAPTHPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144759-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-20220144769-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
WO-2021070799-A1 ADHESIVE AGENT COMPOSITION 住友化学株式会社 2021-04-15 WO 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-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 MEN1 1793/4885KMT2A 2887/4885MAPT 4568/4885
US-20220144759-A1 COMPOUND SFXN3, SFXN1, CBR3 MEN1 2893/4885KMT2A 2384/4885MAPT 4522/4885

“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.