SCHEMBL8249643

SCHEMBL8249643

O=C1Nc2ccccc2N[C@@H]1Cc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.46
▸ ALDH1A1 P00352 11/20 0.46
▸ MAPT P10636 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ HSD17B10 Q99714 5/20 0.43

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
SCHEMBL10327190 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17676996 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10326975 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17676894 0.81 CXCR4 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10327213 0.81 CXCR4 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10327192 0.81 CXCR4 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10326494 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6037887 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6037889 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17676997 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 — — US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 — — US disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 — — 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 KDM4E 69/4885ALDH1A1 728/4885MAPT 3195/4885

“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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