SCHEMBL6994298

SCHEMBL6994298

CC(=O)CNc1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 5/20 0.57
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
NOTUM Q6P988 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
Hydrochloric Acid SCHEMBL2238159 0.84 ITGB3 (0.64) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL196636 0.84 ITGB3 (0.64) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL4572861 0.82 MAPT (0.55) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL11558469 0.81 MAPT (0.64) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL9779960 0.81 MAPT (0.53) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL28852119 0.80 ALDH1A1 (0.49) MAPTHTTALDH1A1RAB9ANPC1
SCHEMBL30128863 0.79 MAPT (0.52) MAPTHTTHPGDALDH1A1RAB9A
Hydrochloric Acid SCHEMBL8159355 0.79 MAPT (0.52) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL15516423 0.79 LMNA (0.56) MAPTHTTHPGDALDH1A1RAB9A
SCHEMBL5320792 0.79 RAB9A (0.65) MAPTHTTHPGDALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021085397-A1 CHEMICAL-RESISTANT POLYCARBOXYLIC ACID-CONTAINING PROTECTIVE FILM 日産化学株式会社 2021-05-06 WO disclosed
US-10730867-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-08-04 US disclosed
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed
US-4140713-A Phenylethanolamine therapeutic agents ALLEN & HANBURYS LIMITED (GB) 1979-02-20 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 (1 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-10730867-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, G3BP1 MAPT 169/4885HTT 1396/4885HPGD 4004/4885

“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.