SCHEMBL17865700

SCHEMBL17865700

FC(F)(F)C1=NN(CCc2cc3cc(Cl)cc(NCC4CCCCO4)c3[nH]2)C2CNCCN12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.33
TNK2 Q07912 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 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
SCHEMBL17865674 0.98 TNK2 (0.34) PDE8BTNK2MEN1KMT2AALDH1A1
SCHEMBL17865685 0.88 CCNT1 (0.34) CYP1A2CYP2C19
SCHEMBL17865637 0.85
SCHEMBL17865713 0.77 IDO1 (0.36)
SCHEMBL17865698 0.74 ALDH1A1 (0.35) TNK2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL17865653 0.72 ALDH1A1 (0.37) TNK2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL17865701 0.60 KMT2A (0.35) KMT2AALDH1A1
SCHEMBL25495034 0.59 PDE3B (0.44) PDE8BMEN1KMT2AALDH1A1
SCHEMBL17865677 0.55 KMT2A (0.39) KMT2AALDH1A1
SCHEMBL17865668 0.55 HRH3 (0.33) ALDH1A1HTT

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-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
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 PDE8B 1808/4885TNK2 343/4885MEN1 1837/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF PDE8B 2277/4885TNK2 341/4885MEN1 1379/4885

“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.