SCHEMBL2086375

SCHEMBL2086375

CN(C)C(=O)c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.46
MTOR P42345 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
GRM5 P41594 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PMM2 O15305 1/20 0.42
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
KIF11 P52732 1/20 0.42
TP53BP1 Q12888 1/20 0.42
TRIM24 O15164 1/20 0.42
BRD4 O60885 1/20 0.42
TAF1 P21675 1/20 0.42

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
SCHEMBL2503381 0.87 MTOR (0.42) ERN1MTORHDAC1HDAC2GRM5
SCHEMBL7406706 0.85 MEN1 (0.55) ERN1MEN1KMT2AHPGDALDH1A1
SCHEMBL1940999 0.82 MLYCD (0.43) MTORHDAC1HDAC2GRM5MEN1
Hydrochloric Acid SCHEMBL11688593 0.82 KMT2A (0.46) MTORHDAC1HDAC2GRM5MEN1
SCHEMBL11688586 0.82 HDAC1 (0.43) MTORHDAC1HDAC2GRM5MEN1
SCHEMBL12548024 0.81 KMT2A (0.46) MTORHDAC1HDAC2GRM5MEN1
SCHEMBL8078432 0.79 HPGD (0.67) HDAC1HDAC2MEN1KMT2ACTSL
SCHEMBL15701905 0.79 KMT2A (0.47) MTORHDAC1HDAC2GRM5MEN1
SCHEMBL6465387 0.79 HSD17B2 (0.47) HPGDALDH1A1
SCHEMBL7366726 0.78 MTOR (0.47) MTORHDAC1HDAC2GRM5MEN1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129257-B1 Imidazo[1,2-a]pyrazine compounds as CK2 inhibitors King Faisal University (SA) 2024-10-29 US disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 EP disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
US-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. 2015-12-24 US disclosed
US-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. 2015-12-24 US disclosed
US-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. 2015-12-24 US disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-9115147-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2015-08-25 US disclosed
US-9115147-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2015-08-25 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2007145571-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145568-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
US-4977178-A Method of treating anxiety and depression with 1-phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1990-12-11 US disclosed
US-4879391-A 1-Phenyl-2(1H,3H)-indolone psychotherapeutic agents PFIZER INC. (US) 1989-11-07 US disclosed
US-4861880-A 1-phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1989-08-29 US disclosed
US-4476307-A Heteroylidene indolone compounds PFIZER INC. (US) 1984-10-09 US disclosed
EP-0104860-A1 1-Phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1984-04-04 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-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 ERN1 4407/4885MTOR 1143/4885HDAC1 1973/4885
US-12129257-B1 Imidazo[1,2-a]pyrazine compounds as CK2 inhibitors CSNK2A1, CSNK2A2, CSNK1A1 ERN1 956/4885MTOR 251/4885HDAC1 894/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT ERN1 2106/4885MTOR 577/4885HDAC1 464/4885

“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.