SCHEMBL13626314

SCHEMBL13626314

CC(=O)NC(C)(C)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
ACACB O00763 5/20 0.48
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KCNN4 O15554 3/20 0.44
POLB P06746 1/20 0.42
SSTR4 P31391 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGER4 P35408 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL27254652 0.89 ACACB (0.54) MAPTSMN1; SMN2NPC1RAB9AACACB
SCHEMBL1851604 0.84 PDE2A (0.48) HTTACACBHDAC3HDAC1HDAC2
SCHEMBL12666542 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL15118619 0.82 ACACB (0.49) MEN1KMT2AMAPTACACBKDM4E
SCHEMBL8351698 0.82 ACACB (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5987647 0.80 ACACB (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL165889 0.80 ACACB (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8390808 0.80 POLB (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL255681 0.80 ACACB (0.48) SMN1; SMN2ACACBHDAC1SSTR4
SCHEMBL2815438 0.80 ACACB (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1

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-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed
CN-103664675-B The preparation method of a kind of chloro-N-of 2-(4-fluorophenyl)-N-isopropyl acetamide Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2016-05-18 CN claimed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
CN-103664675-B The preparation method of a kind of chloro-N-of 2-(4-fluorophenyl)-N-isopropyl acetamide Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2016-05-18 CN disclosed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 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 (4 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 MEN1 1644/4885KMT2A 968/4885MAPT 458/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 MEN1 1644/4885KMT2A 968/4885MAPT 458/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 MEN1 1766/4885KMT2A 997/4885MAPT 476/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 MEN1 1644/4885KMT2A 968/4885MAPT 458/4885

“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.