SCHEMBL20181972

SCHEMBL20181972

CCCCCCC(C)(C)Cc1ccc(Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
FAAH O00519 1/20 0.43
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20428004 0.85 ALDH1A1 (0.46) ALDH1A1FAAHKDM4EGAAMAPT
SCHEMBL9850747 0.77 MAPT (0.54) ALDH1A1FAAHKDM4EGAAMAPT
SCHEMBL21469023 0.77 MAPT (0.54) ALDH1A1FAAHKDM4EGAAMAPT
SCHEMBL594105 0.75 RAB9A (0.51) ALDH1A1FAAHKDM4EGAAMAPT
SCHEMBL2600059 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL22430399 0.74 TDP1 (0.58) FAAHL3MBTL1
SCHEMBL8410633 0.74 CNR2 (0.45) L3MBTL1HPGD
SCHEMBL9319296 0.73 MAPT (0.54) ALDH1A1FAAHKDM4EGAAMAPT
SCHEMBL9158692 0.72 MAPT (0.49) ALDH1A1FAAHKDM4EGAAMAPT
SCHEMBL19634034 0.72 TDP1 (0.36) ALDH1A1KDM4EGAAMAPTL3MBTL1

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-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 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-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP ALDH1A1 1748/4885FAAH 4445/4885KDM4E 3019/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP ALDH1A1 1748/4885FAAH 4445/4885KDM4E 3019/4885

“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.