SCHEMBL13180318

SCHEMBL13180318

CCc1n[nH]c(=O)c2c(F)cccc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.52
▸ PARP1 P09874 5/20 0.43
▸ POLB P06746 1/20 0.42
▸ PRMT5 O14744 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL13180313 0.83 AR (0.54) ARPARP1POLBPRMT5SMN1; SMN2
SCHEMBL11173101 0.80 SMN1; SMN2 (0.69) ARPARP1POLBSMN1; SMN2ALDH1A1
SCHEMBL26247290 0.79 AR (0.45) ARPARP1
SCHEMBL31690178 0.79 AR (0.45) ARPARP1
SCHEMBL13122355 0.77 AR (0.43) ARPARP1LMNA
SCHEMBL25310888 0.76 AR (0.45) ARPARP1POLBSMN1; SMN2ALDH1A1
SCHEMBL25310246 0.76 AR (0.45) ARPARP1PRMT5WDR77
SCHEMBL7462930 0.76 PRMT5 (0.68) ARPARP1POLBPRMT5SMN1; SMN2
SCHEMBL30231202 0.76 PRMT5 (0.68) ARPARP1POLBPRMT5SMN1; SMN2
SCHEMBL13145722 0.76 AR (0.43) ARPARP1POLB

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 AR 653/4885PARP1 4449/4885POLB 4104/4885

“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.

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