SCHEMBL2991064

SCHEMBL2991064

CCCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C(=O)NCCN4CCCC4CO)cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 2/20 0.53
THRB P10828 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 9/20 0.51
MEN1 O00255 7/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.47
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
MAPK1 P28482 3/20 0.43
GAA P10253 1/20 0.43
PTBP1 P26599 1/20 0.43
RAB9A P51151 1/20 0.42
P2RX3 P56373 1/20 0.41

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
SCHEMBL2991068 1.00 MAPT (0.53) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL1717643 0.94 MAPT (0.57) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL1717639 0.94 MAPT (0.57) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL1716945 0.81 KMT2A (0.58) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL1726019 0.80 KMT2A (0.66) MAPTKDM4ELMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL2991114 0.80 KMT2A (0.57) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL1716675 0.79 KMT2A (0.61) MAPTKDM4ELMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL2990013 0.78 KMT2A (0.61) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL2986124 0.78 KMT2A (0.61) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL1717575 0.77 L3MBTL1 (0.43) MAPTKDM4ELMNAALDH1A1HTT

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-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-06-22 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 (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-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof PAH, ABAT, AADAT MAPT 409/4885KDM4E 1082/4885LMNA 4028/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT MAPT 409/4885KDM4E 1082/4885LMNA 4028/4885

“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.