SCHEMBL5824629

SCHEMBL5824629

O=C(Cc1ccccc1[N+](=O)[O-])N=C=S

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GLA P06280 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
SCHEMBL5692158 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL27988542 0.81 ALDH1A1 (0.55) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL5933160 0.77 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL8586329 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1MEN1KMT2ANPC1
Oxalic Acid SCHEMBL28273676 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL31379000 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL3291386 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL15241368 0.76 AKR1B1 (0.55) CYP2D6TSHR
Oxalic Acid SCHEMBL9180724 0.76 CYP1A2 (0.58) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL7731752 0.75 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1KMT2ANPC1

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 ALDH1A1 2003/4885L3MBTL1 1545/4885MEN1 3835/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2059/4885L3MBTL1 1895/4885MEN1 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.