SCHEMBL2232947

SCHEMBL2232947

CN(C)C(=[O+]n1nnc2cccnc21)N(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
FAAH O00519 3/20 0.34
MGLL Q99685 3/20 0.34
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL29442870 1.00 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL153586 1.00 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29442809 0.94 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11981 0.94 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL63612 0.92 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Fluoride SCHEMBL542370 0.92 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL563962 0.87 FAAH (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Phosphoric Acid SCHEMBL635361 0.87 FAAH (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Phosphoric Acid SCHEMBL635362 0.86 FAAH (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4438753 0.86 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363878-B1 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES YONSUNG FINE CHEMICAL CO LTD (KR) 2007-01-17 EP claimed
EP-1363878-A4 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES YONSUNG FINE CHEMICAL CO LTD (KR) 2005-12-21 EP claimed
US-6914159-B1 Which have excellent therapeutic effects against hypertension, congestive heart failure, angina pectoris or prostatic hypertrophy higher yield; isolation step i.e. chromatography is not needed YONSUNG FINE CHEMICAL CO., LTD. (KR) 2005-07-05 US claimed
EP-1363878-A1 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES Yonsung Fine Chemical Co. Ltd (KR) 2003-11-26 EP claimed
WO-2002068382-A1 PROCESS FOR PREPARING SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES YONSUNG FINE CHEMICAL CO. LTD. (KR) 2002-09-06 WO claimed
JP-9208697-A None JP disclosed
US-12246196-B2 Antibody-drug conjugates comprising substituted benzo[e]pyrrolo[1,2-a][1,4]diazepines DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-11 US disclosed
US-20230084707-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-16 US disclosed
US-11583590-B2 Antibody-pyrrolobenzodiazepine derivative conjugate and method of use thereof for treating a tumor DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-21 US disclosed
US-20200261594-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-08-20 US disclosed
EP-3690038-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-08-05 EP disclosed
EP-3502693-A1 CELL TRACKING REAGENTS AND THEIR METHODS OF USE Life Technologies Corporation (US) 2019-06-26 EP disclosed
US-20090292108-A1 Insulinotropic peptide synthesis using solid and solution phase combination techniques ROCHE PALO ALTO LLC 2009-11-26 US disclosed
US-20090130214-A1 Gemcitabine derivatives nanoparticles Universite Paris-Saclay (FR) 2009-05-21 US disclosed
EP-2055711-A1 Use of squalenic acid for the formulation of an active principle in nanoparticle state Centre National de la Recherche Scientifique (FR) 2009-05-06 EP disclosed
EP-1925624-A1 Use of squalenic acid for the formulation of an active principle in nanoparticle state Centre National de la Recherche Scientifique (FR) 2008-05-28 EP disclosed
EP-1761551-A1 GEMCITABINE DERIVATIVES NANOPARTICLES The Centre National de la Recherche Scientifique (FR) 2007-03-14 EP disclosed
WO-2006090029-A1 GEMCITABINE DERIVATIVES NANOPARTICLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-08-31 WO disclosed
US-6914159-B1 Which have excellent therapeutic effects against hypertension, congestive heart failure, angina pectoris or prostatic hypertrophy higher yield; isolation step i.e. chromatography is not needed YONSUNG FINE CHEMICAL CO., LTD. (KR) 2005-07-05 US disclosed
JP-H09208697-A PRODUCTION OF POLYMERIC COMPOUND HITACHI CHEM CO LTD 1997-08-12 JP 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 (6 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-20200261594-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE PDCD6, EPCAM, CNTN1 TUBB4A 346/4885TUBB 670/4885TUBA3C 394/4885
US-20090130214-A1 Gemcitabine derivatives nanoparticles KRAS, H1-3, MCL1 TUBB4A 218/4885TUBB 119/4885TUBA3C 54/4885
US-12246196-B2 Antibody-drug conjugates comprising substituted benzo[e]pyrrolo[1,2-a][1,4]diazepines CNTN1, BTN3A1, FABP6 TUBB4A 1088/4885TUBB 1572/4885TUBA3C 1334/4885
US-20090292108-A1 Insulinotropic peptide synthesis using solid and solution phase combination techniques IAPP, GLP1R, GIPR TUBB4A 4499/4885TUBB 4246/4885TUBA3C 3611/4885
US-20230084707-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE PDCD6, EPCAM, CNTN1 TUBB4A 346/4885TUBB 670/4885TUBA3C 394/4885
US-11583590-B2 Antibody-pyrrolobenzodiazepine derivative conjugate and method of use thereof for treating a tumor EPCAM, PDCD6, CNTN1 TUBB4A 249/4885TUBB 554/4885TUBA3C 452/4885

“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.