SCHEMBL13198802

SCHEMBL13198802

CCCc1ccc(OC)c(-c2csc(NC(=O)N3CCCN(CCN4CCC(NCC)C4)CC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR2A P28223 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNQ1 P51787 1/20 0.39
ROCK1 Q13464 1/20 0.39
ACHE P22303 2/20 0.38
CNR2 P34972 1/20 0.38
SPHK2 Q9NRA0 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
SCHEMBL2953617 0.90 KMT2A (0.40) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198985 0.90 KMT2A (0.49) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198973 0.88 KMT2A (0.46) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL2961537 0.88 KMT2A (0.42) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198969 0.87 KMT2A (0.45) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198984 0.86 KMT2A (0.47) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198986 0.86 HTR2A (0.43) KMT2ASMN1; SMN2HTR2ANPSR1
SCHEMBL13198981 0.86 KMT2A (0.41) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198987 0.86 KMT2A (0.47) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL13198966 0.84 KMT2A (0.47) KMT2AMAPTMEN1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 KMT2A 1446/4885MAPT 645/4885MEN1 990/4885

“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.