SCHEMBL9910991

SCHEMBL9910991

COc1ccc2c(c1)n(C(C)(C)C)c(=O)c1cccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ TP53 P04637 7/20 0.45
▸ POLB P06746 2/20 0.45
▸ RXFP1 Q9HBX9 4/20 0.43
▸ LMNA P02545 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ RAD51 Q06609 4/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15043478 0.81 POLB (0.51) MAPTTP53POLBRXFP1LMNA
SCHEMBL9910994 0.80 MEN1 (0.46) MAPTTP53POLBRXFP1LMNA
SCHEMBL9911002 0.80 RXFP1 (0.53) MAPTTP53RXFP1LMNAMEN1
SCHEMBL15043471 0.78 POLB (0.48) MAPTTP53POLBRXFP1LMNA
SCHEMBL9912175 0.78 TP53 (0.53) MAPTTP53POLBRXFP1LMNA
SCHEMBL9911001 0.75 MEN1 (0.41) MAPTTP53RXFP1LMNAMEN1
SCHEMBL9912178 0.75 MAPT (0.53) MAPTTP53POLBRXFP1LMNA
SCHEMBL9910999 0.74 RXFP1 (0.50) MAPTTP53RXFP1LMNAMEN1
SCHEMBL9910996 0.71 GABRA5 (0.38) POLBRXFP1LMNAMEN1KMT2A
SCHEMBL21755744 0.70 POLB (0.52) MAPTTP53POLBRXFP1LMNA

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 9 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-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-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 — — 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 MAPT 3845/4885TP53 1011/4885POLB 4598/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 MAPT 3845/4885TP53 1011/4885POLB 4598/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 MAPT 4217/4885TP53 817/4885POLB 4243/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 MAPT 3845/4885TP53 1011/4885POLB 4598/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 MAPT 3845/4885TP53 1011/4885POLB 4598/4885

“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.

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