SCHEMBL4131792

SCHEMBL4131792

O=C([CH]c1cccc2ccccc12)Nc1cc2ccccc2cc1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
GSK3B P49841 1/20 0.47
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TACR3 P29371 1/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL4134572 0.77 MRGPRX4 (0.46) ALDH1A1KMT2AMAPT
SCHEMBL27903143 0.76 HDAC2 (0.73) SENP1KDM4EGSK3BHDAC2HDAC3
SCHEMBL409905 0.74 CMA1 (0.59) KDM4EGSK3BHDAC2HDAC3HDAC4
SCHEMBL10336421 0.70 HSP90AA1 (0.68) KDM4EALDH1A1MAOBKMT2AMAPT
SCHEMBL3825273 0.70 HDAC8 (0.66) KDM4EALDH1A1HTTGSK3BHDAC8
SCHEMBL28891745 0.70 HDAC8 (0.66) KDM4EALDH1A1HTTGSK3BHDAC8
SCHEMBL4130033 0.70 NPC1 (0.43) SENP1HDAC8HDAC6KMT2AMAPT
SCHEMBL6253635 0.69 HDAC2 (0.72) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11686594 0.69 NSD2 (0.60) KDM4EALDH1A1MAOBKMT2ANSD2
SCHEMBL9400432 0.68 EGLN1 (0.66) KDM4EHTTKMT2ANSD2MAPT

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-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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 (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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 SENP1 396/4885KDM4E 3115/4885ALDH1A1 4106/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 SENP1 396/4885KDM4E 3115/4885ALDH1A1 4106/4885

“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.