SCHEMBL5647682

SCHEMBL5647682

COc1c(NC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPK1 P28482 3/20 0.53
GAA P10253 3/20 0.53
PHGDH O43175 1/20 0.52
ABCB1 P08183 3/20 0.50
ABCC1 P33527 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
PDE5A O76074 1/20 0.46

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
SCHEMBL31711679 0.88 POLB (0.69) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL5652196 0.83 POLB (0.78) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL5649484 0.79 HDAC1 (0.58) NPC1RAB9AMAPK1ABCB1KMT2A
SCHEMBL6541728 0.76 SMN1; SMN2 (0.72) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL8293254 0.75 MAPT (0.59) SMN1; SMN2NPC1RAB9AMAPK1GAA
SCHEMBL2414416 0.75 PHGDH (0.70) POLBSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL20984593 0.73 ALDH1A1 (0.47) POLBSMN1; SMN2MAPK1GAAALDH1A1
SCHEMBL9332891 0.72 MAPT (0.67) POLBSMN1; SMN2MAPK1ALDH1A1MAPT
Oxalic Acid SCHEMBL20984591 0.72 TSHR (0.44) POLBSMN1; SMN2MAPK1ALDH1A1MAPT
Phosphoric Acid SCHEMBL20984988 0.72 KMT2A (0.44) POLBSMN1; SMN2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR POLB 3523/4885SMN1; SMN2 3577/4885NPC1 1091/4885

“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.