SCHEMBL17872190

SCHEMBL17872190

NC(c1ccccc1)c1cc(Cl)ccc1N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NCF1 P14598 1/20 0.40
▸ CHKA P35790 3/20 0.40
▸ CHKB Q9Y259 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ MC4R P32245 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL17871808 0.87 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EHTTMAPK1
SCHEMBL10638612 0.82 KEAP1 (0.45) ALDH1A1LMNAKDM4EHTTMAPK1
Hydrochloric Acid SCHEMBL17871774 0.82 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EHTTPOLB
SCHEMBL5795215 0.82 KEAP1 (0.50) ALDH1A1MAPK1L3MBTL1NCF1KEAP1
SCHEMBL7888633 0.82 KEAP1 (0.50) ALDH1A1MAPK1L3MBTL1NCF1KEAP1
SCHEMBL10679069 0.80 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHTTMAPK1
Hydrochloric Acid SCHEMBL17871763 0.80 KEAP1 (0.49) ALDH1A1MAPK1L3MBTL1NCF1KEAP1
Hydrochloric Acid SCHEMBL17871713 0.80 KMT2A (0.41) ALDH1A1LMNAKDM4EHTTPOLB
SCHEMBL7888666 0.80 KEAP1 (0.47) ALDH1A1MAPK1L3MBTL1NCF1KEAP1
Hydrochloric Acid SCHEMBL17871824 0.79 GAA (0.43) LMNAKDM4EHTTPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 — — EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 — — US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 — — US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 — — EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 — — 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA ALDH1A1 976/4885LMNA 3754/4885KDM4E 1902/4885

“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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