SCHEMBL22916200

SCHEMBL22916200

Clc1ccc(-c2nc3ccccn3c2CN2C3CCC2CNC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ GAA P10253 1/20 0.58
▸ SLC2A1 P11166 1/20 0.58
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KCNK3 O14649 15/20 0.54
▸ KCNK9 Q9NPC2 15/20 0.54

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
Hydrochloric Acid SCHEMBL31448315 0.99 KDM4E (0.59) KDM4EGAASLC2A1NPC1POLB
SCHEMBL19807703 0.88 KCNK3 (0.56) KDM4EGAASLC2A1NPC1POLB
Hydrochloric Acid SCHEMBL31448432 0.88 KCNK3 (0.53) KDM4ENPC1RAB9AKCNK3KCNK9
Hydrochloric Acid SCHEMBL31448385 0.87 KCNK3 (0.55) KDM4EGAASLC2A1NPC1POLB
SCHEMBL19807780 0.84 KDM4E (0.57) KDM4EGAASLC2A1NPC1POLB
SCHEMBL18978247 0.82 KDM4E (0.67) KDM4EGAASLC2A1KCNK3KCNK9
SCHEMBL22636126 0.82 KCNK3 (0.59) KDM4EGAASLC2A1KCNK3KCNK9
Hydrochloric Acid SCHEMBL20591029 0.81 KDM4E (0.65) KDM4EGAASLC2A1KCNK3KCNK9
SCHEMBL19807701 0.81 KCNK3 (0.57) KDM4EGAASLC2A1NPC1POLB
Hydrochloric Acid SCHEMBL31448492 0.80 KCNK3 (0.56) KDM4EGAASLC2A1NPC1POLB

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-20210024545-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 — — 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-20210024545-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE HYOU1, DDAH1, VDAC3 KDM4E 1973/4885GAA 1655/4885SLC2A1 3098/4885

“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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