SCHEMBL4562631

SCHEMBL4562631

Clc1cccc(C#Cc2cccc(Cl)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.67
GRM5 P41594 10/20 0.60
CYP2C9 P11712 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MAOB P27338 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
APP P05067 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
PTGES O14684 1/20 0.41

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
SCHEMBL30707869 1.00 KCNH2 (0.67) KCNH2GRM5CYP2C9PTGDR2MAOB
Charcoal, Activated SCHEMBL31286308 0.97 KCNH2 (0.64) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL717449 0.93 KCNH2 (0.60) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL30081497 0.91 KCNH2 (0.58) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL28630419 0.91 KCNH2 (0.58) KCNH2GRM5CYP2C9PTGDR2MAOB
Ammonia Solution, Strong SCHEMBL5555414 0.89 KCNH2 (0.56) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL25490062 0.87 KCNH2 (0.55) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL29978649 0.87 KCNH2 (0.55) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL718734 0.87 KCNH2 (0.55) KCNH2GRM5CYP2C9PTGDR2MAOB
SCHEMBL29794004 0.87 KCNH2 (0.59) KCNH2GRM5MAOBCYP2D6

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
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN claimed
CN-110028394-B Synthetic method of indanone and derivatives thereof 南京邮电大学 2021-09-17 CN claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP claimed
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN disclosed
CN-110028394-B Synthetic method of indanone and derivatives thereof 南京邮电大学 2021-09-17 CN disclosed
CN-106518634-B A kind of preparation method of photocatalysis α-dione compounds 大连理工大学 2019-03-05 CN disclosed
US-9493494-B2 Phosphinine oxide derivative and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2016-11-15 US disclosed
US-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-12-03 US disclosed
US-5178791-A Ferroelectricity; electrooptics DISPLAYTECH, INC. (US) 1993-01-12 US 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-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF PHOSPHO1, PPIP5K2, ITPA KCNH2 2296/4885GRM5 732/4885CYP2C9 849/4885

“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.