SCHEMBL14722647

SCHEMBL14722647

Clc1cc2[nH]cnc2cc1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
CSNK2A1 P68400 2/20 0.44
PRKCI P41743 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PRNP P04156 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAD52 P43351 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MMP12 P39900 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL30089756 1.00 MAPT (0.56) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL29745115 0.92 MAPT (0.61) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL23124230 0.92 MAPT (0.61) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL8370769 0.83 MAPT (0.56) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL352396 0.83 MAPT (0.70) MAPTALDH1A1KDM4ETDP1APEX1
Hydrochloric Acid SCHEMBL22748994 0.81 MAPT (0.68) MAPTALDH1A1KDM4ETDP1APEX1
Benzene SCHEMBL28968025 0.79 MAPT (0.52) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL3050263 0.76 MAPT (0.48) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL31153163 0.76 MAPT (0.61) MAPTALDH1A1KDM4ETDP1APEX1
SCHEMBL3044280 0.76 MAPT (0.61) MAPTALDH1A1KDM4ETDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF ASTEX THERAPEUTICS LIMITED (GB) 2023-01-26 US disclosed
CN-115551500-A 4-aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2022-12-30 CN disclosed
EP-4051266-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-09-07 EP disclosed
WO-2021084765-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD (JP) 2021-05-06 WO disclosed
WO-2021085653-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-05-06 WO disclosed
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
EP-2748155-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026931-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF KRAS, NRAS, HRAS MAPT 3117/4885ALDH1A1 2807/4885KDM4E 1777/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 MAPT 2138/4885ALDH1A1 2874/4885KDM4E 2561/4885

“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.