SCHEMBL13329111

SCHEMBL13329111

Cc1ccc(-n2cccc2CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ MCHR1 Q99705 3/20 0.37
▸ NPBWR1 P48145 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMO Q99835 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34

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
SCHEMBL11943460 0.92 LMNA (0.40) LMNAALDH1A1TP53MAPTMCHR1
SCHEMBL11943323 0.83 ALDH1A1 (0.42) LMNAALDH1A1TP53MAPTMCHR1
SCHEMBL11943369 0.83 ALDH1A1 (0.41) LMNAALDH1A1TP53MAPTNPC1
SCHEMBL11943366 0.81 SMO (0.47) LMNAALDH1A1TP53MAPTNPC1
SCHEMBL11943437 0.81 NPC1 (0.38) LMNAALDH1A1TP53MAPTMCHR1
SCHEMBL11943444 0.80 NPBWR1 (0.43) LMNAALDH1A1MAPTMCHR1NPBWR1
SCHEMBL11943327 0.80 SMO (0.46) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL11943398 0.80 SMN1; SMN2 (0.42) LMNAALDH1A1MAPTMCHR1NPC1
SCHEMBL11943445 0.80 ALDH1A1 (0.49) LMNAALDH1A1MAPTMCHR1NPBWR1
SCHEMBL11943356 0.80 NPC1 (0.40) LMNAALDH1A1MAPTMCHR1NPBWR1

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 LMNA 1760/4885ALDH1A1 2003/4885TP53 4322/4885

“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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