SCHEMBL13485507

SCHEMBL13485507

Cc1ccc(Oc2cc(C=O)c([N+](=O)[O-])c3c2OCO3)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PRKDC P78527 1/20 0.32

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
SCHEMBL13485506 0.81 MAPT (0.34) MAPTMEN1KMT2ASMN1; SMN2TXNRD1
SCHEMBL13485508 0.77 MEN1 (0.33) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14305186 0.71 SCN8A (0.32) SCN8ASCN10ANPC1RAB9A
SCHEMBL8827677 0.70 ALDH1A1 (0.59) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL30694157 0.67 TXNRD1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4627162 0.67 TXNRD1 (0.43) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL13485481 0.67 TXNRD1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4625623 0.67 TXNRD1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29888161 0.66 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL216106 0.66 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1HTT

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
EP-2044084-B1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 — — EP disclosed
US-8492377-B2 MTKI quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2013-07-23 — — US disclosed
US-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 — — US disclosed
WO-2008006884-A2 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-17 — — 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-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES NR4A3, NR4A1, NR5A2 MAPT 4828/4885MEN1 919/4885KMT2A 3623/4885

“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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