SCHEMBL20160759

SCHEMBL20160759

CCCc1cc(=O)n2nc(COc3ccccc3)nc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK10 P53779 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.41
GPR84 Q9NQS5 1/20 0.37
GRM5 P41594 1/20 0.36
PABPC1 P11940 1/20 0.36
POLB P06746 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL21303553 0.83 PKM (0.47) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL24053056 0.79 HPGD (0.43) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL12290381 0.78 SOD1 (0.43) RAB9AHPGDSMN1; SMN2PKMPOLB
SCHEMBL23310017 0.76 IDH1 (0.42) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23062777 0.76 UNG (0.41) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL12290364 0.76 SOD1 (0.48) RAB9ASMN1; SMN2ALDH1A1GPR84KDM5A
SCHEMBL25409550 0.75 SMN1; SMN2 (0.43) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL12289980 0.75 KDM5A (0.42) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23062794 0.75 KDM4E (0.45) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23271254 0.75 KDM4E (0.43) KDM4ERAB9AHPGDSMN1; SMN2ALDH1A1

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-20230066830-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS UNIV VIRGINIA COMMONWEALTH (US) 2023-03-02 US disclosed
US-20210214365-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS Sanford Burnham Prebys Medical Discovery Institute 2021-07-15 US disclosed
WO-2021127305-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-06-24 WO disclosed
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-18 US disclosed
US-20190263824-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS VIRGINIA COMMONWEALTH UNIVERSITY 2019-08-29 US disclosed
WO-2018089967-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-05-17 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 (4 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-20210214365-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDAD1 KDM4E 3578/4885RAB9A 261/4885HPGD 4472/4885
US-20190263824-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDAD1 KDM4E 3578/4885RAB9A 261/4885HPGD 4472/4885
US-20230066830-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS SDCBP, BAX, MCL1 KDM4E 3648/4885RAB9A 305/4885HPGD 3278/4885
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis SDCBP, SDC1, SDAD1 KDM4E 3578/4885RAB9A 261/4885HPGD 4472/4885

“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.