SCHEMBL446687

SCHEMBL446687

O=C(O)c1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ENPP2 Q13822 1/20 0.47
HDAC1 Q13547 7/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC8 Q9BY41 2/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC4 P56524 2/20 0.42
HPGD P15428 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SDCBP O00560 2/20 0.41
SDC2 P34741 2/20 0.41
CA1 P00915 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
SCHEMBL446536 0.85 MEN1 (0.56) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL31667651 0.85 ESR1 (0.46) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL1500111 0.85 HDAC1 (0.49) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL3853977 0.83 MAPK1 (0.44) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL2026192 0.83 MEN1 (0.45) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL1065002 0.81 MEN1 (0.69) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL2025564 0.80 MEN1 (0.44) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL6765103 0.80 MEN1 (0.46) SRD5A1SRD5A2MEN1KMT2AENPP2
SCHEMBL29364860 0.80 PARK7 (0.47) MEN1KMT2AHDAC1HDAC7HDAC6
SCHEMBL12443620 0.80 PARK7 (0.47) MEN1KMT2AHDAC1HDAC7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL SRD5A1 423/4885SRD5A2 586/4885MEN1 1458/4885

“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.