SCHEMBL10813985

SCHEMBL10813985

O=C(CCl)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
RAB9A P51151 7/20 0.70
HPGD P15428 2/20 0.70
NPC1 O15118 5/20 0.69
HTT P42858 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
MITF O75030 2/20 0.69
KMT2A Q03164 5/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 1/20 0.63
RNF4 P78317 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
FFAR1 O14842 1/20 0.57
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
MAPK14 Q16539 1/20 0.56
NPY5R Q15761 2/20 0.56

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
SCHEMBL10734378 0.86 ALDH1A1 (0.68) ALDH1A1RAB9AHPGDNPC1HTT
SCHEMBL44662 0.85 HTT (0.78) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL2940113 0.83 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL27422908 0.83 HTT (0.75) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
Methane SCHEMBL27966936 0.83 HTT (0.75) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9483678 0.83 HTT (0.75) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL27754901 0.83 HTT (0.75) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
Iodide SCHEMBL998878 0.83 HTT (0.75) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
Hydrogen Sulfide SCHEMBL10948577 0.83 HTT (0.75) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL9081388 0.82 NPC1 (0.76) ALDH1A1RAB9AHPGDNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 CN disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
CN-110785426-A Compositions and methods for modulating PPP2R1A 加利福尼亚大学董事会 2020-02-11 CN disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 US disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
EP-0143016-B1 DERIVATIVES OF 4-(3-ALKYNYLOXY-2-HYDROXY-PROPYL)-PIPERAZIN-1-YL-N-PHENYL ACETAMIDE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1987-07-29 EP disclosed
EP-0143016-A1 Derivatives of 4-(3-alkynyloxy-2-hydroxy-propyl)-piperazin-1-yl-N-phenyl acetamide, their preparation and their therapeutical use RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1985-05-29 EP 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 (3 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 ALDH1A1 4188/4885RAB9A 223/4885HPGD 3815/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ALDH1A1 2969/4885RAB9A 2224/4885HPGD 4624/4885
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A PPP2R1A, PPP3CA, PPP2R2A ALDH1A1 2930/4885RAB9A 716/4885HPGD 2097/4885

“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.