SCHEMBL7945872

SCHEMBL7945872

Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 5/20 0.49
SCN3A Q9NY46 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 2/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL742566 0.89 LMNA (0.57) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL6715760 0.84 MEN1 (0.54) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL28707285 0.83 MEN1 (0.61) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL30300553 0.78 MEN1 (0.62) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL20226094 0.77 MAPT (0.45) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL5838290 0.76 MEN1 (0.61) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL9474708 0.75 POLB (0.57) MAPTKDM4EKMT2AMEN1CYP1A2
SCHEMBL6715757 0.74 ALDH1A1 (0.54) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL1232491 0.73 MAPT (0.58) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL28911206 0.72 MEN1 (0.56) MAPTKDM4EKMT2AMEN1CYP1A2

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-20150190411-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-09 US disclosed
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-25 US disclosed
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-25 US disclosed
WO-2010011318-A2 ACTIVATIQN OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 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 (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-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL GRIK5, HDAC11, GRIK1 MAPT 709/4885KDM4E 826/4885KMT2A 1179/4885
US-20150190411-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL GRIK5, HDAC11, GRIK1 MAPT 704/4885KDM4E 833/4885KMT2A 1184/4885

“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.