SCHEMBL4397469

SCHEMBL4397469

Cc1ccc(C)n1-c1ccc(CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.50
KLKB1 P03952 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
AOC2 O75106 1/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
APEX1 P27695 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 4/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2154504 0.75 KMT2A (0.47) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL5877830 0.74 CTSB (0.45) CTSBKLKB1L3MBTL1RXRARXRB
SCHEMBL8432370 0.74 CTSB (0.57) CTSBKLKB1L3MBTL1RXRARXRB
SCHEMBL247479 0.73 CYP2A6 (0.46) L3MBTL1MAPTALDH1A1KDM4EKMT2A
SCHEMBL16604399 0.72 ALDH1A1 (0.53) CTSBKLKB1L3MBTL1MAPTALDH1A1
SCHEMBL7007409 0.71 CTSB (0.45) CTSBKLKB1L3MBTL1RXRARXRB
SCHEMBL8245249 0.69 CTSB (0.52) CTSBKLKB1RXRARXRBRXRG
SCHEMBL4005403 0.69 KMT2A (0.44) L3MBTL1MAPTKDM4EKMT2ATDP1
SCHEMBL2600192 0.69 CYP2A6 (0.58) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL23213394 0.68 NR4A1 (0.40) CTSBL3MBTL1RXRARXRBRXRG

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 US disclosed
CN-1148367-C Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same ��ѧ�о���Ӧ����ѯ��˾ 2004-05-05 CN disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US disclosed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP disclosed
EP-1115719-B1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
CN-1324353-A Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same SOD CONSEILS RECH APPLIC (FR) 2001-11-28 CN disclosed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 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 (2 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 CTSB 790/4885KLKB1 4241/4885L3MBTL1 4809/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 CTSB 2476/4885KLKB1 3843/4885L3MBTL1 4820/4885

“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.