SCHEMBL17041962

SCHEMBL17041962

COc1cc(Br)cc([N+](=O)[O-])c1NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ POLB P06746 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TP53 P04637 1/20 0.41
▸ WNK1 Q9H4A3 2/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL16427550 0.93 ALDH1A1 (0.40) L3MBTL1NPSR1POLBMAPTMEN1
SCHEMBL17048309 0.80 MEN1 (0.43) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL16831402 0.78 MAPK1 (0.43) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL30158834 0.77 ALDH1A1 (0.50) L3MBTL1NPSR1POLBMAPTHCAR3
SCHEMBL23970742 0.77 ALDH1A1 (0.50) L3MBTL1NPSR1POLBMAPTHCAR3
SCHEMBL18547123 0.76 NPSR1 (0.47) L3MBTL1NPSR1POLBMAPTRXFP1
SCHEMBL14249425 0.74 ALDH1A1 (0.45) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL24658578 0.74 MAPT (0.52) L3MBTL1NPSR1POLBMAPTRXFP1
SCHEMBL1282168 0.73 ABCB1 (0.46) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL27191075 0.73 PDGFRB (0.52) L3MBTL1NPSR1POLBMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 — — US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 — — EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 — — US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 — — EP disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 — — WO disclosed
EP-2913330-A1 Condensed derivatives of imidazole useful as pharmaceuticals LABORATOIRE BIODIM (FR) 2015-09-02 — — 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-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 L3MBTL1 2541/4885NPSR1 370/4885POLB 592/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 L3MBTL1 2541/4885NPSR1 370/4885POLB 592/4885

“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.

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