SCHEMBL6456166

SCHEMBL6456166

COc1cc(OC)c(NC(=S)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 6/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IGF1R P08069 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 4/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
MCHR1 Q99705 3/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL6456173 1.00 ALDH1A1 (0.53) ALDH1A1HTTMAPTTDP1L3MBTL1
SCHEMBL6875920 0.97 ALDH1A1 (0.59) ALDH1A1HTTMAPTTDP1L3MBTL1
SCHEMBL6875914 0.97 ALDH1A1 (0.59) ALDH1A1HTTMAPTTDP1L3MBTL1
SCHEMBL6461800 0.90 IGF1R (0.54) ALDH1A1MAPTIGF1RSMN1; SMN2LMNA
SCHEMBL6461805 0.90 IGF1R (0.54) ALDH1A1MAPTIGF1RSMN1; SMN2LMNA
SCHEMBL6872189 0.89 LMNA (0.53) ALDH1A1HTTMAPTTDP1L3MBTL1
SCHEMBL6872176 0.89 LMNA (0.53) ALDH1A1HTTMAPTTDP1L3MBTL1
SCHEMBL6874763 0.88 LMNA (0.43) ALDH1A1HTTTDP1L3MBTL1SMN1; SMN2
SCHEMBL6874756 0.88 LMNA (0.43) ALDH1A1HTTTDP1L3MBTL1SMN1; SMN2
SCHEMBL6457820 0.87 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNATHRB

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885HTT 500/4885MAPT 517/4885

“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.