SCHEMBL6733879

SCHEMBL6733879

O=C(O)c1ccc(Sc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.61
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 2/20 0.45
FAAH O00519 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
CXCR2 P25025 1/20 0.42
RHEB Q15382 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 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
SCHEMBL2743332 0.99 BRAF (0.60) BRAFALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL2743334 0.87 BRAF (0.59) BRAFL3MBTL1TLR7CXCR2NPC1
SCHEMBL2743634 0.87 BRAF (0.65) BRAFALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18376639 0.80 ALDH1A1 (0.59) BRAFALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL25355797 0.77 BRAF (0.48) BRAFL3MBTL1RHEBNPC1RAB9A
SCHEMBL8736565 0.77 BRAF (0.51) BRAFALDH1A1HPGDL3MBTL1NPC1
SCHEMBL29953258 0.77 HPGD (0.59) BRAFALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL18779412 0.77 ALDH1A1 (0.59) BRAFALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL6341711 0.76 NR4A2 (0.62) ALDH1A1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL5129590 0.76 LDHA (0.59) CYP1A2L3MBTL1EPHX2FAAHMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-8178528-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2012-05-15 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 US disclosed
US-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2010-06-24 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-20100160406-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 BRAF 3912/4885ALDH1A1 2228/4885HSD17B10 1498/4885

“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.