SCHEMBL4757633

SCHEMBL4757633

NC(=O)c1ccc([C]=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.52
PARP15 Q460N3 3/20 0.52
PARP2 Q9UGN5 2/20 0.52
PARP4 Q9UKK3 2/20 0.50
PARP1 P09874 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL28255744 0.82 PARP10 (0.53) PARP10PARP15PARP2PARP4PARP1
Terephthalamide SCHEMBL23774 0.81 PARP1 (0.71) PARP10PARP15PARP2PARP4PARP1
SCHEMBL11238566 0.79 SRD5A2 (0.50) ALDH1A1KMT2AMAPTTDP1L3MBTL1
Terephthalamide SCHEMBL28603600 0.79 PARP1 (0.55) PARP10PARP15PARP2PARP4PARP1
SCHEMBL403165 0.78 PARP10 (0.50) PARP10PARP15PARP2PARP4PARP1
SCHEMBL5456049 0.78 LMNA (0.52) ALDH1A1CYP2C19BLMHSD17B10
SCHEMBL322070 0.78 PARP15 (0.78) PARP10PARP15PARP2PARP4PARP1
Terephthalamide SCHEMBL1906838 0.78 PARP1 (0.67) PARP10PARP15PARP2PARP4PARP1
Terephthalamide SCHEMBL689841 0.78 PARP1 (0.67) PARP10PARP15PARP2PARP4PARP1
Terephthalamide SCHEMBL1087289 0.78 PARP1 (0.67) PARP10PARP15PARP2PARP4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
WO-1997044333-A1 1,2,4-OXADIAZOLES AS ADHESION-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1997-11-27 WO disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
US-4560749-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1985-12-24 US disclosed
US-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 US disclosed
EP-0136177-A2 3-Azidocephalosporins as intermediates and novel antibacterial agents ELI LILLY AND COMPANY (US) 1985-04-03 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 (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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 PARP10 2389/4885PARP15 2395/4885PARP2 3415/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR PARP10 2706/4885PARP15 2543/4885PARP2 3915/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 PARP10 2398/4885PARP15 2417/4885PARP2 3405/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 PARP10 2398/4885PARP15 2417/4885PARP2 3405/4885

“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.