SCHEMBL3363014

SCHEMBL3363014

CC(=O)OCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP1A2 P05177 3/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAOB P27338 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.49
CYP2C19 P33261 2/20 0.49
RAB9A P51151 2/20 0.49
MMP1 P03956 1/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL4005311 0.84 TDP1 (0.55) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL28263034 0.83 KMT2A (0.48) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3943418 0.82 GAA (0.57) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL4008989 0.81 MEN1 (0.53) MEN1KMT2ACYP1A2TSHRMAPT
Acetic Acid SCHEMBL7506145 0.79 CYP1A2 (0.56) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL3363697 0.77 CYP1A2 (0.63) MEN1KMT2ACYP1A2TSHRNFKB1
Ethyl Acetate SCHEMBL28704417 0.77 SMN1; SMN2 (0.60) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL8890195 0.77 SMN1; SMN2 (0.60) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL11004530 0.77 MEN1 (0.58) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL4146583 0.76 MEN1 (0.69) MEN1KMT2ACYP1A2TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed
EP-0530515-B1 Process for the preparation of N-halomethylpyrrole and intermediates BASF AG (DE) 2002-11-06 EP disclosed
EP-0530515-A1 N-Alkanoylaminomethyl and N-Aroylaminomethyl pyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed
US-5130328-A Lima bean leaves AMERICAN CYANAMID COMPANY (US) 1992-07-14 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 (6 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MEN1 2828/4885KMT2A 2169/4885CYP1A2 168/4885
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A MEN1 3638/4885KMT2A 1108/4885CYP1A2 588/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MEN1 2828/4885KMT2A 2169/4885CYP1A2 168/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MEN1 3823/4885KMT2A 1792/4885CYP1A2 221/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 MEN1 4701/4885KMT2A 2353/4885CYP1A2 1154/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MEN1 2828/4885KMT2A 2169/4885CYP1A2 168/4885

“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.