SCHEMBL14922174

SCHEMBL14922174

[N-]=[N+]=NC(=O)c1ccsc1-n1cccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
GAA P10253 5/20 0.36
RECQL P46063 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 4/20 0.36
NR4A1 P22736 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
GABRA1 P14867 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL9672332 0.78 POLB (0.58) MAPTGAARECQLMEN1KMT2A
SCHEMBL13913262 0.70 ALDH1A1 (0.45) MAPTGAARECQLMEN1KMT2A
SCHEMBL8124664 0.70 ALDH1A1 (0.60) MAPTGAARECQLMEN1KMT2A
SCHEMBL27918301 0.68 AOC2 (0.50) MAPTRECQLMEN1KMT2APOLB
SCHEMBL13917250 0.67 CES2 (0.52) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL17481995 0.66 KMT2A (0.51) GAAKMT2AALDH1A1L3MBTL1
SCHEMBL14922175 0.65 L3MBTL1 (0.38) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL17121900 0.65 HDAC3 (0.53) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL14708976 0.65 GSK3B (0.47) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL14708978 0.65 MAPT (0.31) MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
WO-2012078633-A2 METHODS OF INHIBITING METASTASIS FROM CANCER PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) 2012-06-14 WO disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
CN-1066449-C Tricyclic oxime ethers, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-05-30 CN disclosed
CN-1131155-A Tricyclic oxime ethers, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-09-18 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 (5 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 MAPT 3845/4885GAA 3866/4885RECQL 1979/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 MAPT 3845/4885GAA 3866/4885RECQL 1979/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 MAPT 4217/4885GAA 3573/4885RECQL 1479/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 MAPT 3845/4885GAA 3866/4885RECQL 1979/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 MAPT 3845/4885GAA 3866/4885RECQL 1979/4885

“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.