SCHEMBL31289323

SCHEMBL31289323

Cn1nnc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ FAAH O00519 3/20 0.40
▸ MGLL Q99685 3/20 0.40
▸ RAB9A P51151 3/20 0.38

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
SCHEMBL8256698 1.00 SLC9A1 (0.50) SLC9A1KEAP1TUBB4ATUBBTUBA3C
SCHEMBL5393 0.75 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Potassium Ion SCHEMBL29403001 0.75 FAAH (0.39) SLC9A1KEAP1TUBB4ATUBBTUBA3C
SCHEMBL29376241 0.75 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16879491 0.75 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25400045 0.75 FAAH (0.39) SLC9A1KEAP1TUBB4ATUBBTUBA3C
SCHEMBL537916 0.75 FAAH (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19957621 0.75 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1226224 0.75 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12672863 0.75 SLC9A1 (0.55) SLC9A1TUBB4ATUBBTUBA3CTUBA1B

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-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-12-12 — — 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-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS HPGD, ADH1A, ADH5 SLC9A1 2841/4885KEAP1 998/4885TUBB4A 4018/4885

“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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