SCHEMBL10201422

SCHEMBL10201422

Oc1cc(OCc2ccccc2)c(I)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
APP P05067 1/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LIPE Q05469 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
IDO1 P14902 1/20 0.42
MAPT P10636 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
SCHEMBL23663274 0.87 FFAR1 (0.50) FFAR1APPLMNACYP1A2PTGS1
SCHEMBL29965188 0.87 FFAR1 (0.50) FFAR1APPLMNACYP1A2PTGS1
SCHEMBL16805009 0.81 SMN1; SMN2 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10200177 0.81 L3MBTL1 (0.50) FFAR1APPLMNALIPEMAPT
SCHEMBL27579945 0.79 PDGFRB (0.52) LMNAHDAC6CDK1CCNB1GSK3B
SCHEMBL20755877 0.79 FFAR1 (0.57) FFAR1APPLIPEMAPTMAPK1
SCHEMBL22448645 0.78 GLRA1 (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10201419 0.78 APP (0.46) FFAR1APPLMNAGSK3BMAPT
SCHEMBL26416014 0.77 MAPT (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10200746 0.77 MAOB (0.47) FFAR1MAPTMAPK1TDP1L3MBTL1

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 FFAR1 2427/4885APP 236/4885LMNA 1280/4885

“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.