SCHEMBL906141

SCHEMBL906141

CCCC(N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNA5 P22460 3/20 0.41
KCNN4 O15554 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
GAA P10253 1/20 0.40
TBXAS1 P24557 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL20319037 1.00 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL905971 1.00 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14786230 0.89 L3MBTL1 (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL29669002 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3465672 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6855637 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1037866 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL9073846 0.83 SLC6A4 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL29484721 0.83 SLC6A4 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL20302615 0.83 SLC6A4 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2019-10-17 US disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 US disclosed
US-9139560-B2 Substituted pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-09-22 US disclosed
EP-2277865-B1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BIOSCIENCES AUSTRALIA PTY (AU) 2014-11-12 EP disclosed
US-20140221396-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2014-08-07 US disclosed
US-20130274263-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD 2013-10-17 US disclosed
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. 2009-07-09 US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 US disclosed
US-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed
US-5079247-A N1 -substituted benz(cd)indol-2-imine compounds as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1992-01-07 US disclosed
EP-0446603-A2 N1-Substituted benz(CD) indol-2-imine derivatives as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1991-09-18 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 (7 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-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C CFTR 3271/4885SLC6A2 3799/4885SLC6A4 4446/4885
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ADRA2B, ADRA1B, ADRB2 CFTR 1251/4885SLC6A2 1015/4885SLC6A4 932/4885
US-20190315711-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 CFTR 240/4885SLC6A2 4169/4885SLC6A4 4289/4885
US-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SUCNR1, CNR1, SIGMAR1 CFTR 641/4885SLC6A2 1242/4885SLC6A4 1309/4885
US-20130274263-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885
US-20140221396-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885

“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.