SCHEMBL13304481

SCHEMBL13304481

COCCOc1c(N2CCN(C)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ DCTPP1 Q9H773 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPBWR1 P48145 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL11943539 0.89 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL17058573 0.88 GAA (0.48) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL14080981 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL17058086 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL17057882 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL11943326 0.84 ALDH1A1 (0.49) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL17058230 0.83 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL17057923 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL11943375 0.80 MAPT (0.41) SMN1; SMN2LMNAPOLBKMT2AGAA
SCHEMBL11945593 0.80 MAPT (0.56) SMN1; SMN2LMNAPOLBKMT2AGAA

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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SMN1; SMN2 3332/4885LMNA 1760/4885POLB 1016/4885

“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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