SCHEMBL6115296

SCHEMBL6115296

CCCCCCCCCCc1cc2ccccc2cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KCNH2 Q12809 1/20 0.55
PDE10A Q9Y233 3/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
IDO1 P14902 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48

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
SCHEMBL6115011 1.00 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL6114772 1.00 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL6114567 1.00 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL6114790 1.00 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL6115288 1.00 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL6114489 1.00 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL3347670 0.98 L3MBTL1 (0.61) ATML3MBTL1KCNH2PDE10AGABRP
Ammonia Solution, Strong SCHEMBL28938727 0.97 L3MBTL1 (0.59) ATML3MBTL1KCNH2PDE10AGABRP
Benzene SCHEMBL28727268 0.97 ATM (0.59) ATML3MBTL1KCNH2PDE10AGABRP
SCHEMBL6115037 0.93 ATM (0.63) ATML3MBTL1KCNH2PDE10AGABRP

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
CN-104211620-B The autofrettage of bi-quaternary ammonium salt and its intermediate Wako-chem Industries Co., Ltd. (JP) 2016-05-25 CN disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT ATM 2248/4885L3MBTL1 2236/4885KCNH2 288/4885

“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.