SCHEMBL5824828

SCHEMBL5824828

O=C(N=C=S)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.59
SRD5A2 P31213 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P2RX1 P51575 1/20 0.48
POLB P06746 2/20 0.47
HPGD P15428 1/20 0.47
MIF P14174 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
KCNK3 O14649 1/20 0.46
MAPT P10636 1/20 0.45
PTGS1 P23219 1/20 0.44

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
SCHEMBL6998773 0.85 CES2 (0.61) CES2SRD5A2MEN1KMT2AMAPK1
SCHEMBL484004 0.82 L3MBTL1 (0.41) CES2MEN1KMT2A
SCHEMBL3890036 0.80 CES2 (0.54) CES2SRD5A2MEN1KMT2AMAPK1
SCHEMBL19720609 0.80 CES2 (0.67) CES2SRD5A2MEN1KMT2AMAPK1
SCHEMBL8689909 0.78 CES2 (0.65) CES2SRD5A2MEN1KMT2AMAPK1
SCHEMBL571813 0.78 CES2 (0.55) CES2MEN1KMT2ALMNAHPGD
SCHEMBL8504114 0.75 MAPK1 (0.63) CES2SRD5A2MEN1KMT2AMAPK1
SCHEMBL3176325 0.75 CES2 (1.00) CES2SRD5A2MEN1KMT2ALMNA
SCHEMBL1237189 0.75 SRD5A2 (0.79) CES2SRD5A2MEN1KMT2ALMNA
SCHEMBL3049569 0.75 PARP1 (0.52) MEN1KMT2APOLBHPGDKCNK3

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 CES2 1095/4885SRD5A2 3761/4885MEN1 3835/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CES2 1425/4885SRD5A2 2690/4885MEN1 4168/4885

“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.