SCHEMBL14922175

SCHEMBL14922175

Cn1ncc(C(=O)N=[N+]=[N-])c1-n1cccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
GABRA1 P14867 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 7/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 5/20 0.32
GAA P10253 3/20 0.32
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
THRB P10828 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL1406875 0.78 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL12434763 0.76 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2317402 0.76 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL19730080 0.75 GABRA1 (0.33) SMN1; SMN2GABRA1MEN1KMT2A
SCHEMBL27478868 0.73 GABRA1 (0.33) GABRA1MAPT
SCHEMBL1407142 0.71 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MAPTKDM4EALOX15
SCHEMBL17853199 0.69 GABRA1 (0.37) GABRA1ALDH1A1KDM4EGAAKMT2A
SCHEMBL2320009 0.66 HSD11B1 (0.56) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL16245836 0.66 SLC9A1 (0.65) L3MBTL1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL14922174 0.65 MAPT (0.36) L3MBTL1GABRA1ALDH1A1MAPTKDM4E

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 15 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
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

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 L3MBTL1 4128/4885SMN1; SMN2 3695/4885GABRA1 3338/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 L3MBTL1 4128/4885SMN1; SMN2 3695/4885GABRA1 3338/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 L3MBTL1 3623/4885SMN1; SMN2 3265/4885GABRA1 3222/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 L3MBTL1 4128/4885SMN1; SMN2 3695/4885GABRA1 3338/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 L3MBTL1 4128/4885SMN1; SMN2 3695/4885GABRA1 3338/4885

“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.