SCHEMBL10061497

SCHEMBL10061497

O=C1Nc2cc([N+](=O)[O-])ccc2/C1=C1\CCc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NTRK1 P04629 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
TDP2 O95551 2/20 0.43
CAPN9 O14815 1/20 0.43
CASP3 P42574 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 2/20 0.40
SNCA P37840 2/20 0.40
TTR P02766 1/20 0.40
LRRK2 Q5S007 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL10061467 0.89 KMT2A (0.51) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL10061535 0.81 KMT2A (0.48) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL10061466 0.81 KMT2A (0.50) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL29485953 0.78 MEN1 (0.54) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL19224978 0.78 MEN1 (0.54) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL29321013 0.74 KMT2A (0.56) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL31432982 0.72 KMT2A (0.73) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL2521332 0.70 CASP3 (0.75) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL31376381 0.70 CASP3 (0.75) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL27160763 0.70 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 KMT2A 2782/4885MAPT 4348/4885ALDH1A1 450/4885

“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.