SCHEMBL15919047

SCHEMBL15919047

CCC(C)c1ncnn1C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ CDH1 P12830 1/20 0.30
▸ TCF4 P15884 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APC P25054 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CTNNB1 P35222 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL16225095 0.78 GRIK1 (0.31) —
SCHEMBL18720501 0.74 KDM4E (0.32) KDM4ENPC1KDM4AALDH1A1ABL1
SCHEMBL25619105 0.73 MAPK1 (0.32) ALDH1A1
SCHEMBL25446923 0.72 PDE1A (0.34) ALDH1A1LMNAPOLBTSHR
SCHEMBL19326897 0.71 — —
SCHEMBL16232145 0.71 AAK1 (0.37) ALDH1A1TSHR
SCHEMBL7269636 0.69 SMN1; SMN2 (0.32) TP53
SCHEMBL7274788 0.69 SMN1; SMN2 (0.32) TP53
SCHEMBL26422192 0.69 KDM4E (0.35) KDM4ENPC1RAB9A
SCHEMBL24599327 0.68 TLR8 (0.34) —

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-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2020-10-08 — — US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 — — 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM4E 4418/4885NPC1 383/4885KDM4A 4347/4885
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS MCL1, HDAC1, MYC KDM4E 625/4885NPC1 1460/4885KDM4A 685/4885

“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.

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