SCHEMBL3580804

SCHEMBL3580804

COc1ccc(C2CCCC2)cc1-c1csc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.40
THRB P10828 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL1415171 0.99 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL1724259 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL3594756 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL3600047 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL3580803 0.83 PDE4B (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3598527 0.83 PDE4B (0.42) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL5327111 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL30641473 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL1415794 0.76 S1PR1 (0.42) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL1915457 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2ANPC1

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 10 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-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 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-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 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-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US disclosed
EP-1984361-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-29 EP disclosed
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 US disclosed
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 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-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof PKD2, TPMT, PKD1 ALDH1A1 950/4885KDM4E 1646/4885MEN1 2320/4885
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 ALDH1A1 838/4885KDM4E 114/4885MEN1 1400/4885

“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.