SCHEMBL616893

SCHEMBL616893

Cc1cc(-c2ncc3c(F)cc(F)cc3n2)cc(C)c1OCCN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
IL17A Q16552 1/20 0.42
SRC P12931 6/20 0.38
KCNH2 Q12809 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AXL P30530 1/20 0.36
HTR1A P08908 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
YES1 P07947 1/20 0.35
PDGFRB P09619 1/20 0.35
ACHE P22303 1/20 0.35
ADRB1 P08588 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL619812 0.84 HTR1A (0.46) BRD4IL17AALDH1A1HRH3HTR1A
SCHEMBL618528 0.81 BRD4 (0.42) BRD4IL17ASRCALDH1A1HRH3
SCHEMBL16516221 0.80 BRD4 (0.60) BRD4IL17A
SCHEMBL618589 0.79 BRD4 (0.59) BRD4IL17A
SCHEMBL619094 0.79 BRD4 (0.59) BRD4IL17A
SCHEMBL616003 0.78 SRC (0.45) BRD4IL17ASRCALDH1A1HRH3
SCHEMBL619114 0.78 BRD4 (0.58) BRD4IL17A
SCHEMBL616299 0.78 POLB (0.54) BRD4IL17ASRCALDH1A1HTR1A
SCHEMBL616086 0.75 BRD4 (0.52) BRD4IL17ASRCKCNH2HRH3
SCHEMBL618768 0.75 BRD4 (0.50) BRD4IL17ASRCKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885IL17A 226/4885SRC 2864/4885

“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.