SCHEMBL1718941

SCHEMBL1718941

CCn1c(-c2cccc(C(F)(F)F)c2)nc(I)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.43
ADORA1 P30542 1/20 0.42
TLR8 Q9NR97 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPK14 Q16539 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL1719478 0.84 XDH (0.50) KDM4EHSD17B10ADORA1ALDH1A1MAPT
SCHEMBL1720026 0.83 PTGS2 (0.49) KDM4EHSD17B10POLBTLR8PTGS2
SCHEMBL1719589 0.82 GRIN1 (0.49) KDM4EHSD17B10POLBADORA1KDM1A
SCHEMBL1719242 0.76 CYP11B2 (0.47) KDM4EHSD17B10POLBBRD4KDM1A
SCHEMBL12672992 0.72 PTGS2 (0.47) KDM4EHSD17B10POLBPTGS2ALDH1A1
SCHEMBL28944650 0.71 KDM4E (0.48) KDM4EHSD17B10POLBTLR8PTGS2
SCHEMBL1719970 0.71 ALDH1A1 (0.50) KDM4EPOLBPTGS2ALDH1A1MAPT
SCHEMBL1719194 0.70 GRIN1 (0.46) ADORA1ALDH1A1KMT2ASMN1; SMN2XDH
Hydrochloric Acid SCHEMBL5896346 0.70 TLR8 (0.41) KDM4EHSD17B10POLBTLR8MAPK14
SCHEMBL18470554 0.69 GRIK1 (0.46) TLR8PTGS2MAPK14KMT2AIKBKB

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
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 KDM4E 1739/4885HSD17B10 4089/4885POLB 4508/4885

“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.