SCHEMBL17865642

SCHEMBL17865642

NC(CO)c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.33
PYGL P06737 1/20 0.33
RIPK1 Q13546 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
CNR1 P21554 1/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA3 P07451 4/20 0.31
CA6 P23280 4/20 0.31
CA7 P43166 4/20 0.31
CA5B Q9Y2D0 4/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
CA13 Q8N1Q1 3/20 0.31
CA5A P35218 2/20 0.31
KMT5B Q4FZB7 1/20 0.31
KMT5C Q86Y97 1/20 0.31
CA14 Q9ULX7 2/20 0.31
ALOX15 P16050 2/20 0.31

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
SCHEMBL16525680 1.00 TDO2 (0.33) TDO2PYGLRIPK1ABL1RIN1
SCHEMBL16525679 0.79 TDO2 (0.36) TDO2RIPK1CNR1CA1CA2
SCHEMBL16525685 0.77 TDO2 (0.35) TDO2PYGLRIPK1CNR1CA1
SCHEMBL17865525 0.73 F7 (0.41) PYGLCA1CA2CA3CA6
SCHEMBL3007636 0.72 RIPK1 (0.40) TDO2PYGLRIPK1KMT5BKMT5C
SCHEMBL3748032 0.71 CHEK1 (0.37) TDO2PYGLRIPK1KMT5BKMT5C
SCHEMBL2985737 0.71 PLA2G1B (0.32) CA1CA2CA3CA6CA7
SCHEMBL3004154 0.70 IDO1 (0.34) TDO2RIPK1KMT5BKMT5CEPHX1
SCHEMBL3011458 0.70 CHEK1 (0.41) RIPK1ABL1RIN1CNR1KMT5B
SCHEMBL3755897 0.70 ADORA1 (0.33) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US claimed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP claimed
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
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP 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 19/4885PYGL 264/4885RIPK1 13/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF TDO2 17/4885PYGL 623/4885RIPK1 15/4885

“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.