SCHEMBL12499012

SCHEMBL12499012

Cc1ccn(-c2cc[c]cn2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TDO2 P48775 1/20 0.36
HTT P42858 1/20 0.36
SCD O00767 1/20 0.32
HDAC4 P56524 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL2900649 0.75 PRMT6 (0.38) MAPTRAB9ANPC1HTT
SCHEMBL12615832 0.74 MAPT (0.49) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL1770222 0.73 HTT (0.51) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL10147813 0.70 RAB9A (0.53) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL1907360 0.70 MAPT (0.63) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL896782 0.69 LMNA (0.45) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL2390767 0.69 NOTUM (0.39)
SCHEMBL232012 0.68 MAPT (0.55) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL1462591 0.68 L3MBTL1 (0.57) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL16278275 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 MAPT 3029/4885RAB9A 4026/4885NPC1 1393/4885

“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.