SCHEMBL3588561

SCHEMBL3588561

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCCN(CC(=O)O)C3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
CCR2 P41597 9/20 0.40
KCNH2 Q12809 5/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
CPT1A P50416 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
SCHEMBL3588557 1.00 ROCK1 (0.43) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3588551 1.00 ROCK1 (0.43) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3591841 0.93 ROCK1 (0.40) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3591850 0.93 ROCK1 (0.40) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3600267 0.92 CCR2 (0.40) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3600271 0.92 CCR2 (0.40) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3585634 0.91 ROCK1 (0.42) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL3585639 0.91 ROCK1 (0.42) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL13199024 0.91 CCR2 (0.46) ROCK1MAPTLMNACCR2KCNH2
SCHEMBL13199023 0.91 CCR2 (0.46) ROCK1MAPTLMNACCR2KCNH2

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-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 ROCK1 2648/4885MAPT 787/4885LMNA 4164/4885

“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.