SCHEMBL13304485

SCHEMBL13304485

O=c1c(N2CCOCC2)c(N2CCNCC2)cnn1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.65
▸ RAB9A P51151 4/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ DCTPP1 Q9H773 2/20 0.43
▸ MAPT P10636 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
SCHEMBL13304476 0.86 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1CA12
SCHEMBL13942545 0.79 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1CA12
SCHEMBL14080975 0.79 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6030180 0.79 ALDH1A1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1CA12
SCHEMBL11943187 0.79 MAPT (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1CA12
SCHEMBL11943104 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1CA12
SCHEMBL11943209 0.76 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1CA12
SCHEMBL11943215 0.76 KMT2A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11943221 0.76 GFER (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11943266 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
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 NPC1 2218/4885RAB9A 4434/4885SMN1; SMN2 3332/4885

“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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