SCHEMBL5542837

SCHEMBL5542837

COC(=O)c1ccc(-c2ccnc(CBr)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.46
ERN1 O75460 1/20 0.46
MAPT P10636 3/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
SLC2A1 P11166 1/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
PKM P14618 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL7229839 0.83 KDM4E (0.46) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL14496862 0.83 KDM4E (0.46) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL1287072 0.83 KDM4C (0.55) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL30378291 0.83 KDM4C (0.55) KDM4EALDH1A1MAPTCA12CA1
Hydrochloric Acid SCHEMBL5548057 0.82 KDM4E (0.45) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL7222847 0.82 KDM4E (0.45) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL5548208 0.82 KDM4E (0.45) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL3307991 0.82 PKM (0.45) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL23380278 0.81 KDM4E (0.51) KDM4EALDH1A1EGFRERN1MAPT
SCHEMBL17386399 0.80 KDM4E (0.59) KDM4EALDH1A1EGFRERN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (2 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KDM4E 3425/4885ALDH1A1 4310/4885EGFR 1211/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 KDM4E 3346/4885ALDH1A1 1316/4885EGFR 1908/4885

“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.