SCHEMBL17865674

SCHEMBL17865674

FC(F)(F)C1=NN(CCc2cc3cc(Cl)cc(NCC4CCCO4)c3[nH]2)C2CNCCN12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE8B O95263 1/20 0.32
PDE3B Q13370 3/20 0.31
PDE3A Q14432 3/20 0.31
TIPARP Q7Z3E1 1/20 0.31
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 3/20 0.31
TP53 P04637 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 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
SCHEMBL17865700 0.98 PDE8B (0.33) TNK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17865685 0.88 CCNT1 (0.34) CYP1A2CYP2C19
SCHEMBL17865637 0.84
SCHEMBL17865713 0.78 IDO1 (0.36)
SCHEMBL17865653 0.74 ALDH1A1 (0.37) TNK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17865698 0.71 ALDH1A1 (0.35) TNK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17865701 0.61 KMT2A (0.35) ALDH1A1KMT2AKDM4E
SCHEMBL25495034 0.56 PDE3B (0.44) ALDH1A1MEN1KMT2APDE8BPDE3B
SCHEMBL17865677 0.55 KMT2A (0.39) ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL15392402 0.54 CHEK1 (0.63)

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 8 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
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 TNK2 343/4885ALDH1A1 3181/4885MEN1 1837/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF TNK2 341/4885ALDH1A1 3023/4885MEN1 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.