SCHEMBL963475

SCHEMBL963475

CC(=O)Nc1cccc(CBr)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
STAT1 P42224 1/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL27858830 0.87 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL3719692 0.85 MEN1 (0.45) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL12145458 0.85 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL7236261 0.82 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL13414540 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPK1TSHR
SCHEMBL3440070 0.80 ALDH1A1 (0.54) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL15300096 0.80 SMN1; SMN2 (0.44) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL28856079 0.79 LMNA (0.44) LMNAPOLBRXFP1BRD4
SCHEMBL29843518 0.79 LMNA (0.44) LMNAPOLBRXFP1BRD4
SCHEMBL146375 0.77 RXFP1 (0.50) KDM4EALDH1A1HPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 EP 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 (3 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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 KDM4E 2542/4885ALDH1A1 1983/4885LMNA 3633/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 KDM4E 2810/4885ALDH1A1 452/4885LMNA 3596/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 KDM4E 2810/4885ALDH1A1 452/4885LMNA 3596/4885

“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.