SCHEMBL4324491

SCHEMBL4324491

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCN(c3ccc(NC(=N)c4cccs4)cc3)CC1)O2.Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(c3ccc(NC(=N)c4cccs4)cc3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
MAPT P10636 9/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
UBE2N P61088 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL4316379 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4322193 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4313413 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4326665 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4402634 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4317371 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4328082 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4311284 0.91 KMT2A (0.43) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4316202 0.90 KMT2A (0.43) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4328951 0.86 PTGS1 (0.39) ALDH1A1HTTPTGS1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335445-B1 Derivatives of 2-(iminomethyl)amino-phenyl, 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) 2002-01-01 US claimed
US-7553976-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2009-06-30 US disclosed
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-07-31 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 (1 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-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT KMT2A 1254/4885MAPT 909/4885ALDH1A1 1318/4885

“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.