SCHEMBL4626633

SCHEMBL4626633

N=C(Nc1ccc(CCN(C(=O)O)c2ccc(Nc3ccccc3)cc2)cc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 10/20 0.41
RAB9A P51151 9/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.37

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 SCHEMBL5400935 0.99 MEN1 (0.41) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL4627215 0.80 TRPV1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4627573 0.80 NPC1 (0.52) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL4628336 0.79 NPC1 (0.51) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL4625755 0.79 KMT2A (0.65) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL6868876 0.79 KMT2A (0.65) MEN1KMT2AALDH1A1TP53NPC1
Hydrochloric Acid SCHEMBL5403706 0.79 TRPV1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5401422 0.79 NPC1 (0.51) MEN1KMT2AALDH1A1TP53NPC1
Hydrochloric Acid SCHEMBL5408274 0.78 KMT2A (0.64) MEN1KMT2AALDH1A1TP53NPC1
Iodide SCHEMBL5418758 0.78 NPC1 (0.50) MEN1KMT2AALDH1A1TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115720-B1 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2008-07-02 EP claimed
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-05-20 US claimed
US-6620840-B1 Nitric oxide synthase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-16 US claimed
US-7186752-B2 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS (FR) 2007-03-06 US disclosed
US-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS 2005-09-08 US disclosed
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-03 US disclosed
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-05-20 US disclosed
US-6620840-B1 Nitric oxide synthase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-16 US disclosed
US-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 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 (3 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-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MEN1 1065/4885KMT2A 2652/4885ALDH1A1 1206/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MEN1 1145/4885KMT2A 2651/4885ALDH1A1 1097/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MEN1 918/4885KMT2A 3045/4885ALDH1A1 1257/4885

“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.