SCHEMBL14538438

SCHEMBL14538438

Nc1c(-c2ncccc2F)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ TDO2 P48775 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ S100A4 P26447 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CTSB P07858 2/20 0.38
▸ TDP2 O95551 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
SCHEMBL14538642 0.83 MEN1 (0.42) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14538442 0.83 LMNA (0.44) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14538639 0.81 HDAC6 (0.46) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14667928 0.80 MAPT (0.43) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14538440 0.80 TRPV1 (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1841295 0.80 NPY1R (0.40) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1359332 0.79 TRPV1 (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1359386 0.79 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14538487 0.78 MAPT (0.35) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14538436 0.77 LMNA (0.42) MAPTALDH1A1L3MBTL1MEN1KMT2A

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-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
WO-2007056330-A1 BENZIMIDAZOLE DERIVATIVES AS GYRASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 — — WO 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-20130030004-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B MAPT 3439/4885ALDH1A1 3184/4885L3MBTL1 3394/4885

“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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