SCHEMBL1106812

SCHEMBL1106812

CSn1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.55
KEAP1 Q14145 1/20 0.55
CYP4Z1 Q86W10 6/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
DGAT1 O75907 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
GRM2 Q14416 1/20 0.43
RAB9A P51151 1/20 0.42
KCNMA1 Q12791 1/20 0.42

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
SCHEMBL11051725 0.83 SLC9A1 (0.54) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL17490282 0.79 SLC9A1 (0.50) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL15199802 0.79 SLC9A1 (0.56) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL4779214 0.76 SLC9A1 (0.47) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL18948924 0.74 SLC9A1 (0.46) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL3260305 0.73 SLC9A1 (0.58) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL170155 0.71 SLC9A1 (1.00) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL29720118 0.71 SLC9A1 (1.00) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL3107495 0.71 SLC9A1 (0.56) SLC9A1KEAP1CYP4Z1POLBMAPK1
SCHEMBL19781430 0.71 HDAC3 (0.48) POLBMAPK1ALDH1A1CYP1A2RAB9A

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-11239498-B2 Electrolytic solution and lithium-ion battery CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2022-02-01 US disclosed
US-20220001191-A1 SYSTEMS AND METHODS FOR MODULATED MULTI-SPECTRAL MAGNETIC STIMULATION ROUND RIVER RESEARCH CORPORATION (US) 2022-01-06 US disclosed
EP-3517746-B1 PARTICULATE MEASUREMENT SYSTEM AVL TEST SYSTEMS INC (US) 2020-10-07 EP disclosed
US-20190326637-A1 ELECTROLYTIC SOLUTION AND LITHIUM-ION BATTERY CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2019-10-24 US disclosed
US-8153150-B2 Methods of administering tetrazole-containing rapamycin analogs with other therapeutic substances for treatment of vascular disorder ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
WO-2009144175-A1 PROCESS FOR PREPARING 3-INDOLYL FATTY ACID AMIDES WITH SATURATED, UNSATURATED OR HYDROXY FATTY ACIDS Technische Universität Dresden (DE) 2009-12-03 WO disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-20090022774-A1 Methods of administering tetrazole-containing rapamycin analogs with other therapeutic substances for treatment of vascular disorder ABBOTT LABORATORIES (US) 2009-01-22 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-20090022774-A1 Methods of administering tetrazole-containing rapamycin analogs with other therapeutic substances for treatment of vascular disorder MMP17, PLAT, THPO SLC9A1 1621/4885KEAP1 3911/4885CYP4Z1 3939/4885

“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.