SCHEMBL355011

SCHEMBL355011

Nc1cc(C(F)(F)F)ccc1NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KIF11 P52732 1/20 0.41
ALOX15 P16050 2/20 0.41
CFTR P13569 1/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PNMT P11086 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL7190725 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL7190719 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL7181978 0.92 MAPT (0.54) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL2687081 0.89 KDM4E (0.48) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL22605894 0.89 MAPK1 (0.55) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL7191488 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL7191486 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL20356222 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL30657540 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL28521995 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
CN-102414195-B Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2014-11-12 CN disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 ALDH1A1 1409/4885KDM4E 3947/4885GAA 4623/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 ALDH1A1 1409/4885KDM4E 3947/4885GAA 4623/4885

“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.