SCHEMBL20064244

SCHEMBL20064244

CCn1nnnc1NC(=O)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MIF P14174 1/20 0.49
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 3/20 0.42
SOS1 Q07889 1/20 0.42
CCNE1 P24864 1/20 0.42

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
SCHEMBL21222317 0.76 NPC1 (0.50) RAB9ANPC1ALDH1A1POLBLMNA
SCHEMBL5222693 0.76 RAB9A (0.56) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL5334461 0.75 RAB9A (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL896549 0.74 RAB9A (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL19302740 0.73 NPC1 (0.50) RAB9ANPC1ALDH1A1POLBLMNA
SCHEMBL1011592 0.69 POLB (0.68) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1012925 0.69 MAPK14 (0.48) RAB9AGAA
SCHEMBL7244914 0.69 ALDH1A1 (0.56) RAB9AALDH1A1MEN1KMT2ALMNA
SCHEMBL20711380 0.69 NPC1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL11966187 0.69 NPC1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A

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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 RAB9A 2499/4885NPC1 2835/4885ALDH1A1 222/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 RAB9A 2499/4885NPC1 2835/4885ALDH1A1 222/4885

“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.