SCHEMBL6325952

SCHEMBL6325952

Nc1ccc(Oc2ccc(Br)cc2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
POLB P06746 2/20 0.63
RAB9A P51151 2/20 0.63
MAPT P10636 1/20 0.59
ALDH1A1 P00352 4/20 0.53
BRCA1 P38398 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KEAP1 Q14145 1/20 0.45
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP13 P45452 1/20 0.40
LTA4H P09960 1/20 0.40
APAF1 O14727 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
SCHEMBL20931746 0.88 KDM4E (0.79) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL6203235 0.81 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL30466074 0.81 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL2721244 0.81 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL4059342 0.81 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL6306231 0.81 KDM4E (0.71) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL8736385 0.81 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL1002115 0.81 KDM4E (0.68) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL31674507 0.81 KDM4E (0.68) KDM4EMEN1KMT2APOLBRAB9A
Hydrochloric Acid SCHEMBL177984 0.80 KDM4E (0.67) KDM4EMEN1KMT2APOLBRAB9A

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-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors NOE MARK C (US) 2005-07-21 US disclosed
US-6841671-B2 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-01-11 US disclosed
EP-1332146-A2 SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2003-08-06 EP disclosed
US-20030096803-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-05-22 US disclosed
WO-2002034753-A2 SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-05-02 WO disclosed
US-4264605-A INSECTICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
EP-0008881-A1 1-Benzoyl-3-pyridinyl ureas, their use as insecticides, their preparation and formulations containing them ELI LILLY AND COMPANY (US) 1980-03-19 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-20030096803-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP2 KDM4E 2789/4885MEN1 3565/4885KMT2A 2895/4885
US-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 KDM4E 2594/4885MEN1 3937/4885KMT2A 2596/4885

“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.