SCHEMBL3874429

SCHEMBL3874429

Cn1cc(OP=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NR4A2 P43354 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
POLB P06746 1/20 0.42
PTPRC P08575 1/20 0.42
GSK3B P49841 1/20 0.42
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL12614276 0.77 GPR84 (0.52) IMPDH2ALDH1A1NR4A2CCNE2CDK4
SCHEMBL3971661 0.75 ALDH1A1 (0.56) IMPDH2ALDH1A1NR4A2CCNE2CDK4
SCHEMBL3867842 0.75 ALDH1A1 (0.47) IMPDH2ALDH1A1NR4A2CCNE2CDK4
SCHEMBL1606642 0.74 GPR84 (0.48) IMPDH2ALDH1A1NR4A2CCNE2CDK4
SCHEMBL10698031 0.74 NR4A2 (0.53) IMPDH2ALDH1A1NR4A2GPR84POLB
SCHEMBL3416860 0.74 NR4A2 (0.53) IMPDH2ALDH1A1NR4A2GPR84POLB
SCHEMBL8500052 0.72 NR4A2 (0.51) IMPDH2ALDH1A1NR4A2GPR84CCNT1
SCHEMBL30058738 0.71 NR4A2 (0.50) IMPDH2ALDH1A1NR4A2CCNE2CDK4
SCHEMBL27383813 0.71 NR4A2 (0.46) IMPDH2ALDH1A1NR4A2CCNE2CDK4
SCHEMBL2350154 0.71 NR4A2 (0.50) IMPDH2ALDH1A1NR4A2GPR84CCNT1

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
WO-2009102384-A2 RADIOLABELED DERIVATIVES OF POTENT CHYMASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20090169475-A1 RADIOLABELED DERIVATIVES OF POTENT CHYMASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-02 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-20090169475-A1 RADIOLABELED DERIVATIVES OF POTENT CHYMASE INHIBITORS CMA1, CPA3, CPA1 IMPDH2 2956/4885ALDH1A1 1425/4885NR4A2 4083/4885

“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.