SCHEMBL17197344

SCHEMBL17197344

COc1cc2c(cc1[N+](=O)[O-])CN(C(C)=O)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.45
SIRT6 Q8N6T7 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
ABHD6 Q9BV23 1/20 0.42

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
SCHEMBL17197304 0.91 MAPT (0.56) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL17197257 0.91 MAPT (0.56) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL2060993 0.84 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL17197349 0.82 NR1H2 (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL11318782 0.82 MAPT (0.56) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL16284216 0.82 ABHD6 (0.55) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL14993936 0.81 SIRT6 (0.55) ALDH1A1MAPTPOLBSIRT6LMNA
SCHEMBL24729529 0.79 ESR1 (0.57) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL3645153 0.79 MAPT (0.52) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL2205792 0.79 MAPT (0.52) KMT2AMEN1MAPTPOLBLMNA

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-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 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 (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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 KMT2A 1228/4885MEN1 3087/4885ALDH1A1 2257/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 KMT2A 1228/4885MEN1 3087/4885ALDH1A1 2257/4885

“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.