Sugi Predict

Sugi Predict / Compounds / SCHEMBL12295679

SCHEMBL12295679

SCHEMBL12295679

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 8/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ CYP2C19 P33261 6/20 0.78
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ DDR1 Q08345 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL12295249 0.96 CYP2C9 (0.92) CYP2C9CYP3A4CYP2C19HTTSMN1; SMN2
SCHEMBL20345518 0.94 CYP2C9 (0.88) CYP2C9CYP3A4CYP2C19SMN1; SMN2ATM
SCHEMBL12294672 0.93 CYP2C9 (0.87) CYP2C9CYP3A4CYP2C19SMN1; SMN2ATM
SCHEMBL18357712 0.93 CYP2C9 (0.87) CYP2C9CYP3A4CYP2C19HTTSMN1; SMN2
SCHEMBL20346889 0.92 CYP2C9 (0.85) CYP2C9CYP3A4CYP2C19EPHX2DDR1
SCHEMBL12294776 0.92 CYP2C9 (0.85) CYP2C9CYP3A4CYP2C19EPHX2DDR1
Telacebec SCHEMBL12295312 0.92 CYP2C9 (0.85) CYP2C9CYP3A4CYP2C19EPHX2DDR1
SCHEMBL15755351 0.92 CYP2C9 (0.85) CYP2C9CYP3A4CYP2C19ATMDDR1
Telacebec SCHEMBL25172404 0.92 CYP2C9 (0.84) CYP2C9CYP3A4CYP2C19EPHX2PTGER4
SCHEMBL20345538 0.92 CYP2C9 (0.84) CYP2C9CYP3A4CYP2C19ATMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 — — US claimed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 — — US claimed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 — — US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 — — US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 — — US disclosed
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 — — US disclosed
US-10364232-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-07-30 — — US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 — — US disclosed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 — — EP disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 — — US disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 — — US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 — — US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 — — US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 — — US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 — — US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 — — US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 — — US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 — — US disclosed
WO-2012143796-A2 ANTI-INFLAMMATION COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2012-10-26 — — WO disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 — — 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 (8 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 CYP2C9 1874/4885CYP3A4 1015/4885CYP2C19 2032/4885
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 CYP2C9 1874/4885CYP3A4 1015/4885CYP2C19 2032/4885
US-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 CYP2C9 1874/4885CYP3A4 1015/4885CYP2C19 2032/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 CYP2C9 1874/4885CYP3A4 1015/4885CYP2C19 2032/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 CYP2C9 1874/4885CYP3A4 1015/4885CYP2C19 2032/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 CYP2C9 1874/4885CYP3A4 1015/4885CYP2C19 2032/4885
US-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP3A4 2915/4885CYP2C19 4181/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP3A4 366/4885CYP2C19 2085/4885

“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.