SCHEMBL23406076

SCHEMBL23406076

O=C(Nc1ncc(-c2ccccn2)cn1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ROCK2 O75116 1/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ KCNK3 O14649 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ SCN5A Q14524 1/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL29743805 1.00 CYP2A6 (0.55) CYP2A6LMNAHIF1AROCK2ROCK1
SCHEMBL29744073 0.88 F2 (0.58) NPC1RAB9AMEN1KMT2A
SCHEMBL20641503 0.88 F2 (0.58) NPC1RAB9AMEN1KMT2A
SCHEMBL23406002 0.87 TRPV1 (0.52) KCNK3HTTHSD17B10RAB9AKDM4E
SCHEMBL29743862 0.87 TRPV1 (0.52) KCNK3HTTHSD17B10RAB9AKDM4E
SCHEMBL6643666 0.85 LMNA (0.67) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL23406055 0.85 SMN1; SMN2 (0.65) CYP2A6LMNAHIF1AALOX15NPC1
SCHEMBL23406114 0.82 GRM5 (0.54) LMNAHDAC1HDAC3HDAC2KCNK3
SCHEMBL29744091 0.82 GRM5 (0.54) LMNAHDAC1HDAC3HDAC2KCNK3
SCHEMBL23406009 0.82 GRM1 (0.57) HTTNPC1RAB9ASMN1; SMN2MAPT

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 4 patents. 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
US-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 — — US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 — — US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 — — 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 (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-20210163440-A1 EAAT2 ENHANCING MOLECULES SLC1A2, SLC1A1, SLC1A3 CYP2A6 3042/4885LMNA 4504/4885HIF1A 1257/4885
US-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 CYP2A6 3042/4885LMNA 4504/4885HIF1A 1257/4885

“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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