SCHEMBL18329402

SCHEMBL18329402

Clc1ccc(-c2cn3c(n2)CNCCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.67
▸ RAB9A P51151 6/20 0.67
▸ LMNA P02545 4/20 0.67
▸ HTT P42858 2/20 0.67
▸ WDR5 P61964 8/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR7 P34969 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
SCHEMBL15933686 0.91 NPC1 (0.61) NPC1RAB9ALMNAHTTWDR5
SCHEMBL18329393 0.86 WDR5 (0.48) NPC1RAB9ALMNAHTTWDR5
SCHEMBL18329398 0.85 WDR5 (0.65) NPC1RAB9ALMNAHTTWDR5
SCHEMBL18329424 0.82 WDR5 (0.45) NPC1RAB9ALMNAHTTWDR5
SCHEMBL10747985 0.78 PDCD1 (0.53) NPC1RAB9ALMNAHTTWDR5
SCHEMBL24517436 0.78 NPC1 (0.88) NPC1RAB9ALMNAHTTWDR5
SCHEMBL15933525 0.77 PDCD1 (0.52) NPC1RAB9ALMNAHTTWDR5
SCHEMBL15933440 0.77 PDCD1 (0.59) NPC1RAB9ALMNAHTTWDR5
SCHEMBL10747141 0.77 PDCD1 (0.52) NPC1RAB9ALMNAHTTWDR5
SCHEMBL12781800 0.77 PDCD1 (0.52) NPC1RAB9ALMNAHTTWDR5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426784-B2 Imidazodiazepine compound ASTELLAS PHARMA INC. (JP) 2019-10-01 — — US disclosed
EP-3312181-B1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-07 — — EP disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 — — US disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 — — US disclosed
EP-3312181-A1 IMIDAZODIAZEPINE COMPOUND Astellas Pharma Inc. (JP) 2018-04-25 — — EP disclosed
WO-2016204268-A1 IMIDAZODIAZEPINE COMPOUND アステラス製薬株式会社 2016-12-22 — — WO 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 (2 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-20180185383-A1 IMIDAZODIAZEPINE COMPOUND HTR1D, DRD2, DRD1 NPC1 2212/4885RAB9A 1308/4885LMNA 4214/4885
US-10426784-B2 Imidazodiazepine compound GRIN2D, HTR1D, DRD2 NPC1 1253/4885RAB9A 870/4885LMNA 4219/4885

“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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