SCHEMBL18268185

SCHEMBL18268185

COc1c(Br)cc(C2OC(=O)Nc3c2ccc2ccccc32)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ MYB P10242 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33

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
SCHEMBL18268188 0.88 KDM4E (0.48) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL18268186 0.88 KDM4E (0.48) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL18268202 0.88 KDM4E (0.48) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL18268184 0.83 CA2 (0.42) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL18270509 0.82 MEN1 (0.41) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL17001453 0.82 KDM4E (0.42) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL19669613 0.81 KDM4E (0.41) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL19669617 0.81 KDM4E (0.41) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL19669616 0.81 KDM4E (0.41) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL18268187 0.80 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
US-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-12-01 — — US disclosed
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-12-01 — — 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 (1 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-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS CTTN, PTK2, CDC42 ALDH1A1 4856/4885LMNA 797/4885KDM4E 3086/4885

“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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