SCHEMBL10112910

SCHEMBL10112910

CCNc1nnc(-c2ccc(OC)c(Br)n2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
PGK1 P00558 5/20 0.42
TNF P01375 1/20 0.40
ACHE P22303 1/20 0.38
MAPK1 P28482 2/20 0.35
PRNP P04156 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 2/20 0.34
GSK3B P49841 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10200978 0.81 KDM4E (0.48) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL8237403 0.72 KDM4E (0.50) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL13363175 0.71 TNF (0.62) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL10201098 0.70 PGK1 (0.49) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL18113537 0.68 RAB9A (0.73) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL8233313 0.66 KDM4E (0.49) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL1200013 0.65 KDM4E (0.58) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL29769759 0.64 S1PR4 (0.43) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2144116 0.64 S1PR4 (0.43) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL11996756 0.63 RAB9A (1.00) KDM4EALDH1A1HSD17B10NPC1RAB9A

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 KDM4E 4592/4885ALDH1A1 1104/4885HSD17B10 256/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 KDM4E 4576/4885ALDH1A1 1148/4885HSD17B10 233/4885

“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.