SCHEMBL262350

SCHEMBL262350

CC(C)(C)C[n+]1ccc(N2CCCCC2)cc1.CS(=O)(=O)[O-]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHKA P35790 13/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL262351 0.91 CHKA (0.48) CHKABCHEACHE
Hydrochloric Acid SCHEMBL262371 0.88 CHKA (0.56) CHKABCHEACHE
SCHEMBL9834829 0.76 USP2 (0.44) CHKABCHEACHESMN1; SMN2
Hydrochloric Acid SCHEMBL9674296 0.75 USP2 (0.43) CHKABCHEACHESMN1; SMN2
SCHEMBL9329679 0.71 CHKA (0.62) CHKABCHEACHE
Bromide SCHEMBL9327388 0.70 CHKA (0.66) CHKABCHEACHE
SCHEMBL560191 0.69 PTGS2 (0.43) CHKABCHEACHESMN1; SMN2
SCHEMBL560190 0.69 PTGS2 (0.43) CHKABCHEACHESMN1; SMN2
SCHEMBL9328178 0.69 CHKA (0.61) CHKABCHEACHE
SCHEMBL2314961 0.69 PTGS2 (0.42) CHKABCHEACHESMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205958-A1 Direct dianhydride synthesis GENERAL ELECTRIC COMPANY 2006-09-14 US claimed
EP-2280963-B1 METHOD OF PURIFYING DIANHYDRIDES, THE DIANHYDRIDES FORMED THEREBY, AND POLYETHERIMIDES FORMED THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-20 EP disclosed
EP-2097375-B1 METHOD FOR PURIFYING BISIMIDES SABIC INNOVATIVE PLASTICS IP (NL) 2013-04-24 EP disclosed
EP-2089348-B1 METHOD FOR MAKING POLYETHERIMIDES SABIC INNOVATIVE PLASTICS IP (NL) 2013-02-20 EP disclosed
US-8134016-B2 Method for purifying dianhydrides SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-03-13 US disclosed
US-8013173-B2 Method of purifying dianhydrides, the dianhydrides formed thereby, and polyetherimides formed therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-09-06 US disclosed
EP-2094691-B1 METHOD FOR PURIFYING DIANHYDRIDES SABIC INNOVATIVE PLASTICS IP (NL) 2011-05-25 EP disclosed
EP-2280963-A1 METHOD OF PURIFYING DIANHYDRIDES, THE DIANHYDRIDES FORMED THEREBY, AND POLYETHERIMIDES FORMED THEREFROM SABIC Innovative Plastics IP B.V. (NL) 2011-02-09 EP disclosed
WO-2009120212-A1 METHOD OF PURIFYING DIANHYDRIDES, THE DIANHYDRIDES FORMED THEREBY, AND POLYETHERIMIDES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-10-01 WO disclosed
US-20090247727-A1 Method of Purifying Dianhydrides, the Dianhydrides Formed Thereby, and Polyetherimides Formed Therefrom SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-10-01 US disclosed
WO-2008082417-A1 METHOD OF PURIFYING DIANHYDRIDES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-07-10 WO disclosed
WO-2008063208-A1 METHOD FOR PURIFYING BISIMIDES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-29 WO disclosed
WO-2008063206-A1 METHOD FOR MAKING POLYETHERIMIDES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-29 WO disclosed
WO-2008063207-A1 METHOD FOR PURIFYING DIANHYDRIDES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-29 WO disclosed
US-7268237-B2 Direct dianhydride synthesis GENERAL ELECTRIC COMPANY (US) 2007-09-11 US disclosed
US-20070073066-A1 Method for purifying dianhydrides GENERAL ELECTRIC COMPANY (US) 2007-03-29 US disclosed
US-20070073035-A1 Method for making polyetherimides GENERAL ELECTRIC COMPANY (US) 2007-03-29 US disclosed
US-20070073063-A1 Method for purifying bisimides GENERAL ELECTRIC COMPANY (US) 2007-03-29 US disclosed
US-20060293528-A1 Method of purifying dianhydrides GENERAL ELECTRIC COMPANY 2006-12-28 US disclosed
US-20060205958-A1 Direct dianhydride synthesis GENERAL ELECTRIC COMPANY 2006-09-14 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 (5 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-20060205958-A1 Direct dianhydride synthesis HDHD5, DOHH, DBH CHKA 3705/4885BCHE 683/4885ACHE 1387/4885
US-20070073063-A1 Method for purifying bisimides FHIT, PBRM1, TNS4 CHKA 4501/4885BCHE 1284/4885ACHE 3216/4885
US-20060293528-A1 Method of purifying dianhydrides CA3, UROD, CA7 CHKA 4432/4885BCHE 959/4885ACHE 2507/4885
US-20070073066-A1 Method for purifying dianhydrides AQP4, TRRAP, GYPA CHKA 4567/4885BCHE 2510/4885ACHE 3414/4885
US-20090247727-A1 Method of Purifying Dianhydrides, the Dianhydrides Formed Thereby, and Polyetherimides Formed Therefrom CA7, CA4, CA13 CHKA 4367/4885BCHE 3069/4885ACHE 3011/4885

“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.