SCHEMBL4669720

SCHEMBL4669720

Nc1ncc(Br)s1.[O-][Br+2]([O-])O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
EPHX2 P34913 1/20 0.37
ADORA3 P0DMS8 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
SNCA P37840 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL344676 0.87
Hydrochloric Acid SCHEMBL643550 0.84
SCHEMBL27791129 0.84
Bromide SCHEMBL145295 0.84
Bromide SCHEMBL8465585 0.82
SCHEMBL256074 0.66 SNCA (0.52) SNCASMN1; SMN2
SCHEMBL175020 0.63
SCHEMBL3564958 0.62
SCHEMBL5150904 0.62
SCHEMBL1133202 0.62

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652847-B1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN PHARMA KK (JP) 2008-05-28 EP disclosed
US-7211587-B2 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (KR) 2007-05-01 US disclosed
EP-1652847-A1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-03 EP disclosed
US-6821987-B2 4-SUBSTITUTED BY AZOLYLUREIDO-PHENOXY, OR PHENYLTHIO; ANTITUMOR AGENTS; TREATING DIABETIC RETINOPATHY, CHRONIC RHEUMATISM, PSORIASIS, ATHEROSCLEROSIS, KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-23 US disclosed
US-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-18 US disclosed
EP-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2003-05-08 US 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-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS NOS1 1095/4885ALDH1A1 1234/4885HPGD 2468/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS NOS1 1095/4885ALDH1A1 1234/4885HPGD 2468/4885

“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.