SCHEMBL2501780

SCHEMBL2501780

Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
ALPG P10696 1/20 0.32
ALOX12 P18054 1/20 0.32
ALPL P05186 1/20 0.32
PTGES O14684 1/20 0.31
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2496669 0.94 CCR1 (0.35) CCR1LMNA
SCHEMBL2499572 0.92 CCR1 (0.35) CCR1
SCHEMBL18619611 0.92 CCR1 (0.35) CCR1KDM4ELMNAMAPTHSD17B10
SCHEMBL21586659 0.90 CCR1 (0.34) CCR1
SCHEMBL25586455 0.89 CCR1 (0.39) CCR1
SCHEMBL20230401 0.89 CCR1 (0.37) CCR1
SCHEMBL19275537 0.89 CCR1 (0.34) CCR1SMN1; SMN2
SCHEMBL2495760 0.88 CCR1 (0.36) CCR1
SCHEMBL20560059 0.86 CCR1 (0.31) CCR1
Lotilaner SCHEMBL16860871 0.86 CCR1 (0.33) CCR1LMNAPTGES

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-20110245239-A1 ORGANIC COMPOUNDS ELANCO TIERGESUNDHEIT AG (CH) 2011-10-06 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-20110245239-A1 ORGANIC COMPOUNDS ACHE, VDAC1, VDAC2 CCR1 4087/4885KDM4E 2444/4885LMNA 3796/4885

“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.