SCHEMBL21246956

SCHEMBL21246956

CN(C)CCCCCCBr

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
TSHR P16473 1/20 0.69
DNM1 Q05193 3/20 0.55
SIGMAR1 Q99720 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4A O75164 6/20 0.34
KDM4C Q9H3R0 6/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34

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
SCHEMBL11716299 1.00 ALDH1A1 (0.69) ALDH1A1TSHRDNM1SIGMAR1TDP1
SCHEMBL14531094 1.00
SCHEMBL28285178 1.00 ALDH1A1 (0.69) ALDH1A1TSHRDNM1SIGMAR1TDP1
Bromide SCHEMBL9491844 0.97 ALDH1A1 (0.65) ALDH1A1TSHRDNM1SIGMAR1TDP1
SCHEMBL9162423 0.97
Bromide SCHEMBL7639265 0.94
SCHEMBL1650408 0.94 ALDH1A1 (0.69) ALDH1A1TSHRDNM1SIGMAR1TDP1
SCHEMBL7904773 0.89 DNM1 (0.75) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL7903172 0.89 DNM1 (0.75) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL895778 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693881-A Tertiary aliphatic amine grafted alginic acid derivative preparation method 扬州大学 2016-06-22 CN claimed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP disclosed
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-08-09 US disclosed
CN-111788207-B Dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-03-23 CN disclosed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US disclosed
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP disclosed
WO-2019154133-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-08-15 WO disclosed
CN-105693881-A Tertiary aliphatic amine grafted alginic acid derivative preparation method 扬州大学 2016-06-22 CN 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-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof KDR, MET, ABL1 ALDH1A1 754/4885TSHR 992/4885DNM1 741/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 ALDH1A1 754/4885TSHR 992/4885DNM1 741/4885

“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.