SCHEMBL4356760

SCHEMBL4356760

N#Cc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 6/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
CYP2A6 P11509 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL11602629 0.98 ALDH1A1 (0.51) CHKAALDH1A1LMNASMN1; SMN2HTT
Bromide SCHEMBL11309227 0.98 CHKA (0.53) CHKAALDH1A1LMNASMN1; SMN2HTT
Fluoride Ion SCHEMBL4075175 0.96 CHKA (0.49) CHKAALDH1A1LMNASMN1; SMN2HTT
Fluoride Ion SCHEMBL4075178 0.96 CHKA (0.49) CHKAALDH1A1LMNASMN1; SMN2HTT
Bromide SCHEMBL7297527 0.88 ALDH1A1 (0.58) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL1135060 0.86 CHKA (0.41) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8729049 0.84 CYP2A6 (0.52) CHKAHTTMAOBMAOATSHR
SCHEMBL15694655 0.83 HDAC8 (0.46) CHKAMAOBMAOATSHRHDAC8
Thiocyanic Acid SCHEMBL3205318 0.82 CHKA (0.48) CHKAALDH1A1LMNASMN1; SMN2HTT
Bromide SCHEMBL20544009 0.81 ALDH1A1 (0.48) CHKAALDH1A1LMNASMN1; SMN2HTT

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
EP-2112181-A1 RESIN COMPOSITION FOR OPTICAL MATERIAL, RESIN FILM FOR OPTICAL MATERIAL, AND OPTICAL WAVEGUIDE USING THEM Hitachi Chemical Company, Ltd. (JP) 2009-10-28 EP disclosed
US-20080293875-A1 Oxetane Compound and Curable Composition Containing the Same THE YOKOHAMA RUBBER CO., LTD. (JP) 2008-11-27 US disclosed
EP-1752483-A1 OXETANE COMPOUND AND HARDENABLE COMPOSITION CONTAINING THE SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2007-02-14 EP disclosed
US-6787617-B1 FORMING NARROW MOLECULAR WEIGHT HOMOPOLYMERS AS INTERMEDIATES TO BLOCK OR TERMINAL FUNCTIONALIZED POLYMERS; HAFNIUM OR ZIRCONIUM CYCLOPENTADIENYL FUNCTIONALIZED CATALYSTS WITH TRIPHENYLBORON AND TRIALKYLALUMINUM COMPOUNDS JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-07 US disclosed
EP-1209171-A1 PROCESS FOR PRODUCING OLEFIN LIVING POLYMER JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-05-29 EP disclosed
EP-0543022-B1 PROCESS FOR PRODUCING STYRENIC POLYMER AND CATALYST THEREFOR IDEMITSU KOSAN CO (JP) 1998-02-04 EP disclosed
US-5391661-A Process for producing a styrenic polymer and a catalyst for use therein IDEMITSU KOSAN CO., LTD. (JP) 1995-02-21 US disclosed
EP-0572003-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed
EP-0543022-A1 PROCESS FOR PRODUCING STYRENIC POLYMER AND CATALYST THEREFOR IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-05-26 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 (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-20080293875-A1 Oxetane Compound and Curable Composition Containing the Same OXER1, OXTR, HEATR1 CHKA 1971/4885ALDH1A1 1226/4885LMNA 3886/4885

“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.