SCHEMBL5652196

SCHEMBL5652196

Cc1c(NC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.74
GAA P10253 2/20 0.74
NPC1 O15118 1/20 0.74
MAPK1 P28482 1/20 0.74
RAB9A P51151 1/20 0.74
KMT2A Q03164 5/20 0.57
LMNA P02545 2/20 0.56
PHGDH O43175 1/20 0.56
ALDH1A1 P00352 4/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 3/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MAPT P10636 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
BLM P54132 1/20 0.50

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
SCHEMBL1335449 0.87 POLB (1.00) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL7292358 0.85 NPC1 (1.00) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL13673779 0.84 POLB (0.74) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL5647682 0.83 POLB (0.54) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL11325469 0.79 LMNA (0.83) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL11551428 0.79 POLB (0.75) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL27180913 0.78 POLB (0.68) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL6789579 0.78 POLB (0.68) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL927071 0.78 POLB (0.63) POLBSMN1; SMN2GAANPC1MAPK1
SCHEMBL926806 0.78 POLB (0.63) POLBSMN1; SMN2GAANPC1MAPK1

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-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
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN 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 3577/4885GAA 868/4885

“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.