SCHEMBL5824838

SCHEMBL5824838

COc1ccccc1CCC(=O)N=C=S

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
TAAR1 Q96RJ0 1/20 0.46
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3562956 0.85 LMNA (0.50) TAAR1KMT2AMEN1LMNATSHR
SCHEMBL5824440 0.80 TAAR1 (0.42) TAAR1KMT2AMEN1HTT
SCHEMBL7331644 0.77 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL30800373 0.77 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL30365164 0.76 MTNR1A (0.63) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL362209 0.76 LMNA (0.59) MTNR1AMTNR1BTAAR1LMNASMN1; SMN2
SCHEMBL266525 0.76 MTNR1A (0.63) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL29590071 0.76 LMNA (0.59) MTNR1AMTNR1BTAAR1LMNASMN1; SMN2
SCHEMBL5824670 0.75 KMT2A (0.50) KMT2AMEN1
SCHEMBL2437293 0.74 TAAR1 (0.59) MTNR1AMTNR1BTAAR1CASP3CASP7

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-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 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 (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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA MTNR1A 1069/4885MTNR1B 860/4885TAAR1 222/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA MTNR1A 978/4885MTNR1B 843/4885TAAR1 327/4885

“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.