SCHEMBL18357771

SCHEMBL18357771

CCc1c(C(=O)OC)c2cc(Cl)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ PKMYT1 Q99640 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PLA2G2A P14555 2/20 0.37
▸ KRAS P01116 1/20 0.37
▸ NR4A2 P43354 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ GMNN O75496 1/20 0.33

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
SCHEMBL18357443 0.85 HPGD (0.41) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL18357573 0.71 LMNA (0.43) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL2033730 0.70 PTGDR2 (0.40) ALDH1A1MEN1KMT2ALMNAPLA2G2A
SCHEMBL21462437 0.70 L3MBTL1 (0.45) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL23903663 0.70 PKMYT1 (0.58) ALDH1A1HSD17B10HPGDHTTMEN1
SCHEMBL9261071 0.69 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL2321756 0.69 L3MBTL1 (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL31368105 0.67 NR4A2 (0.37) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL4160132 0.66 OPRK1 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2041118 0.66 PTGDR2 (0.47) KDM4EALDH1A1HSD17B10HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 — — US disclosed
US-20180155341-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 — — US disclosed
US-20180155341-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 — — US disclosed
WO-2017001660-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-01-05 — — WO disclosed
WO-2017001661-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-01-05 — — 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 (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-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 KDM4E 3387/4885ALDH1A1 1869/4885HSD17B10 1973/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 KDM4E 3387/4885ALDH1A1 1869/4885HSD17B10 1973/4885
US-20180155341-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 KDM4E 3387/4885ALDH1A1 1869/4885HSD17B10 1973/4885

“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.

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