SCHEMBL6463386

SCHEMBL6463386

CCOc1ccccc1NC(=S)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
ALOX12 P18054 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 5/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6463384 1.00 LMNA (0.57) LMNAALOX12ALDH1A1KMT2AMEN1
SCHEMBL6873156 0.90 LMNA (0.55) LMNAALOX12ALDH1A1THRBSMN1; SMN2
SCHEMBL6873160 0.90 LMNA (0.55) LMNAALOX12ALDH1A1THRBSMN1; SMN2
SCHEMBL6467491 0.90 TP53 (0.47) LMNAALOX12ALDH1A1KMT2AMEN1
SCHEMBL6467487 0.90 TP53 (0.47) LMNAALOX12ALDH1A1KMT2AMEN1
SCHEMBL6877161 0.87 MCHR1 (0.45) LMNAALOX12ALDH1A1THRBSMN1; SMN2
SCHEMBL6877819 0.87 LMNA (0.42) LMNAALOX12ALDH1A1THRBSMN1; SMN2
SCHEMBL6877814 0.87 LMNA (0.42) LMNAALOX12ALDH1A1THRBSMN1; SMN2
SCHEMBL6874259 0.87 MAPT (0.42) LMNAALOX12ALDH1A1KMT2AMEN1
SCHEMBL6874264 0.87 MAPT (0.42) LMNAALOX12ALDH1A1KMT2AMEN1

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 6 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
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO 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
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO 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 LMNA 3391/4885ALOX12 2888/4885ALDH1A1 2036/4885

“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.