SCHEMBL20008777

SCHEMBL20008777

Cn1ccc(Nc2cccc(-c3ccc(F)cc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SCN4A P35499 1/20 0.41
IGF1R P08069 1/20 0.40
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40
CNR1 P21554 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL23794877 0.80 POLB (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL15688161 0.78 PIK3C3 (0.56) MEN1KMT2ANPC1RAB9ASCN4A
SCHEMBL12507458 0.75 KMT2A (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL23794875 0.75 HDAC6 (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16270804 0.70 CNR1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL15688182 0.67 LRRK2 (0.44) ALDH1A1SCN4AIGF1RLMNAMAPK10
SCHEMBL11900731 0.67 HDAC1 (0.41) KMT2AALDH1A1NPC1RAB9ASCN4A
SCHEMBL31456951 0.67 BACE1 (0.38) ALDH1A1NPC1RAB9AIGF1RLMNA
SCHEMBL31457010 0.67 PRKD1 (0.43) GCK
SCHEMBL27377264 0.67 PRKD1 (0.43) GCK

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-20180086750-A1 NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2018-03-29 US disclosed
US-20180086750-A1 NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2018-03-29 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-20180086750-A1 NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY HDAC1, HDAC5, HDAC7 MEN1 4020/4885KMT2A 61/4885ALDH1A1 1179/4885

“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.