SCHEMBL17197367

SCHEMBL17197367

COc1cc(OCCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 13/20 0.50
LMNA P02545 6/20 0.47
ALDH1A1 P00352 11/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
ALPG P10696 1/20 0.44
HTT P42858 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2964413 0.94 KMT2A (0.52) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL28414075 0.88 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL8789817 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL5314804 0.87 KMT2A (0.46) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL1697621 0.87 MAPT (0.67) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL6377931 0.87 KMT2A (0.57) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL22955262 0.85 KMT2A (0.52) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL657693 0.85 CHEK1 (0.53) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL17197371 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL1962847 0.85 KMT2A (0.49) SMN1; SMN2KMT2ANPC1RAB9AMAPT

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 SMN1; SMN2 4028/4885KMT2A 1228/4885NPC1 1943/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 SMN1; SMN2 4028/4885KMT2A 1228/4885NPC1 1943/4885

“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.