SCHEMBL313814

SCHEMBL313814

C#CCCN1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CXCR4 P61073 2/20 0.43
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM1A O60341 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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 SCHEMBL14126883 0.98 POLB (0.59) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL313162 0.86 POLB (0.52) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL17262348 0.85 CXCR4 (0.52) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL31732076 0.83 CXCR4 (0.55) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
Hydrochloric Acid SCHEMBL31731774 0.81 CXCR4 (0.53) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
Tert-Butyl Formate SCHEMBL27952737 0.79 SMN1; SMN2 (0.41) POLBSMN1; SMN2CXCR4SIGMAR1ALDH1A1
SCHEMBL25433068 0.77 POLB (0.48) POLBSMN1; SMN2ALDH1A1PKMHRH3
SCHEMBL3770379 0.77
SCHEMBL31732066 0.77 CXCR4 (0.68) POLBSMN1; SMN2CXCR4SIGMAR1HRH2
SCHEMBL1704847 0.76 POLB (1.00) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180026306-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-25 US disclosed
US-9819054-B2 Electrolyte for lithium secondary battery and lithium secondary battery using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-11-14 US disclosed
US-20170266173-A1 MAPK INHIBITORS EVERBRILLIANT PHARMA PTY LTD. (AU) 2017-09-21 US disclosed
EP-2534138-B1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-01-25 EP disclosed
EP-2534138-B1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-01-25 EP disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
EP-3010345-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS The Regents of The University of California (US) 2016-04-27 EP disclosed
US-20150064578-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-03-05 US disclosed
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2013-02-14 US disclosed
EP-2534138-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP disclosed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
WO-2011098603-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO disclosed
WO-2011098603-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO disclosed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
EP-1869027-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2007-12-26 EP disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 WO 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO POLB 1760/4885SMN1; SMN2 1033/4885CXCR4 2874/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 POLB 636/4885SMN1; SMN2 3569/4885CXCR4 4023/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 POLB 1094/4885SMN1; SMN2 3457/4885CXCR4 4153/4885
US-20170266173-A1 MAPK INHIBITORS MAPK1, MAPK4, MAPK3 POLB 3419/4885SMN1; SMN2 4482/4885CXCR4 1080/4885
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS ICAM1, ITGB3, VCAM1 POLB 4105/4885SMN1; SMN2 4428/4885CXCR4 33/4885

“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.