SCHEMBL7229839

SCHEMBL7229839

COC(=O)c1ccc(-c2ccnc(CN(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
ERN1 O75460 2/20 0.44
EGFR P00533 1/20 0.44
MAPT P10636 3/20 0.42
NR1H4 Q96RI1 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SLC2A1 P11166 1/20 0.41
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
PKM P14618 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL7231513 0.85 AOC3 (0.44) KDM4EALDH1A1MAPTKDM6BKDM5C
SCHEMBL5542837 0.83 KDM4E (0.48) KDM4EALDH1A1ERN1EGFRMAPT
SCHEMBL14496862 0.81 KDM4E (0.46) KDM4EALDH1A1ERN1EGFRMAPT
Hydrochloric Acid SCHEMBL5548057 0.80 KDM4E (0.45) KDM4EALDH1A1ERN1EGFRMAPT
SCHEMBL3307991 0.80 PKM (0.45) KDM4EALDH1A1ERN1EGFRMAPT
SCHEMBL5548208 0.80 KDM4E (0.45) KDM4EALDH1A1ERN1EGFRMAPT
SCHEMBL7222847 0.80 KDM4E (0.45) KDM4EALDH1A1ERN1EGFRMAPT
SCHEMBL17386399 0.78 KDM4E (0.59) KDM4EALDH1A1ERN1EGFRMAPT
SCHEMBL1492671 0.77 DYRK1A (0.58) KDM4EALDH1A1ERN1EGFRCA12
Trifluoroacetic Acid SCHEMBL7223311 0.76 LOXL2 (0.43) KDM4EALDH1A1ERN1EGFRMAPT

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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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 (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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 KDM4E 1571/4885ALDH1A1 2804/4885ERN1 3978/4885

“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.