SCHEMBL17865651

SCHEMBL17865651

N=C(N)N1CCC[C@H]1c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
SPHK2 Q9NRA0 8/20 0.31
SPHK1 Q9NYA1 5/20 0.31
PRCP P42785 1/20 0.31
RIPK1 Q13546 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL17865676 0.77 BDKRB2 (0.36)
SCHEMBL17865657 0.73 HRH4 (0.40) TDO2RIPK1HRH4
SCHEMBL17865712 0.72 SPHK2 (0.30) SPHK2SPHK1
SCHEMBL16525679 0.70 TDO2 (0.36) TDO2CA1CA2CA3CA6
SCHEMBL17865542 0.70 HRH4 (0.54) HRH4
SCHEMBL17865525 0.69 F7 (0.41) CA1CA2CA3CA6CA7
SCHEMBL16525685 0.69 TDO2 (0.35) TDO2CA1CA2CA3CA6
SCHEMBL16525680 0.68 TDO2 (0.33) TDO2CA1CA2CA3CA6
SCHEMBL17865642 0.68 TDO2 (0.33) TDO2CA1CA2CA3CA6
SCHEMBL17865543 0.67 HRH4 (0.54) HRH4

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
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 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 (2 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF TDO2 19/4885CA1 1042/4885CA2 859/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF TDO2 17/4885CA1 1025/4885CA2 728/4885

“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.