SCHEMBL16447357

SCHEMBL16447357

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.69
CYP2C19 P33261 6/20 0.69
CYP3A4 P08684 3/20 0.69
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CLK1 P49759 1/20 0.42
METTL3 Q86U44 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL12294670 0.93 CYP2C9 (0.74) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL2426016 0.90 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL17590053 0.90 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL18357581 0.89 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL12295233 0.87 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL12294578 0.87 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL12295308 0.87 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL12294581 0.87 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL12295468 0.87 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL23655379 0.86 CYP2C9 (0.68) CYP2C9CYP2C19CYP3A4ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 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 (1 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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885

“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.