SCHEMBL29744091

SCHEMBL29744091

O=C(Nc1ncc(-c2ccccn2)cn1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ KCNK3 O14649 1/20 0.49
▸ KCNK9 Q9NPC2 1/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ PKM P14618 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ METAP2 P50579 1/20 0.48

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
SCHEMBL23406114 1.00 GRM5 (0.54) GRM5HDAC6HDAC1KCNK3KCNK9
SCHEMBL29744073 0.88 F2 (0.58) NPC1RAB9AKMT2A
SCHEMBL20641503 0.88 F2 (0.58) NPC1RAB9AKMT2A
SCHEMBL29743831 0.84 ADORA3 (0.57) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23405923 0.84 ADORA3 (0.57) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23406002 0.84 TRPV1 (0.52) KCNK3RAB9AKMT2A
SCHEMBL29743862 0.84 TRPV1 (0.52) KCNK3RAB9AKMT2A
SCHEMBL23405932 0.83 GRM5 (0.64) GRM5NPC1RAB9APKMSMN1; SMN2
SCHEMBL17028058 0.83 HDAC6 (0.61) HDAC6HDAC1KCNK3KCNK9HDAC3
SCHEMBL23406076 0.82 CYP2A6 (0.55) HDAC6HDAC1KCNK3HDAC3HDAC2

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-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 — — 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-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 GRM5 73/4885HDAC6 1694/4885HDAC1 1990/4885

“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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