SCHEMBL21544698

SCHEMBL21544698

COc1ccc(C23CC(C(=O)O)(C2)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.50
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ HSD11B1 P28845 2/20 0.44
▸ TET3 O43151 1/20 0.43
▸ FBXL19 Q6PCT2 1/20 0.43
▸ CXXC5 Q7LFL8 1/20 0.43
▸ TET1 Q8NFU7 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.43
▸ CXXC4 Q9H2H0 1/20 0.43
▸ KDM2A Q9Y2K7 1/20 0.43
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL22027030 0.88 NAAA (0.44) NAAALMNASMN1; SMN2KMT2ACA1
SCHEMBL22027277 0.84 DGAT1 (0.46) NAAALMNASMN1; SMN2KMT2ACA1
SCHEMBL25387067 0.84 NAAA (0.52) NAAALMNASMN1; SMN2CA1CA2
SCHEMBL22027200 0.83 KMT2A (0.45) NAAALMNASMN1; SMN2KMT2ACA1
SCHEMBL12936217 0.82 KMT2A (0.66) LMNASMN1; SMN2KMT2AHSD11B1
SCHEMBL29598198 0.81 MEN1 (0.49) NAAALMNASMN1; SMN2KMT2ACA1
SCHEMBL18043699 0.80 CA1 (0.55) NAAACA1CA2NPC1MAPT
SCHEMBL29525348 0.80 KMT2A (0.48) LMNAKMT2ACES2CES1NPC1
SCHEMBL17582383 0.79 MEN1 (0.49) LMNASMN1; SMN2KMT2AHSD11B1L3MBTL1
SCHEMBL22362684 0.78 LMNA (0.48) NAAALMNASMN1; SMN2KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 — — CN disclosed
WO-2023152182-A1 NOVEL COMPOUNDS MODULATING MIR-155 SAVERNA THERAPEUTICS AG (CH) 2023-08-17 — — WO disclosed
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 — — US disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 — — CN disclosed
US-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NORTHEASTERN UNIVERSITY (US) 2020-06-23 — — US disclosed
US-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NORTHEASTERN UNIVERSITY (US) 2020-06-23 — — US disclosed
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NORTHEASTERN UNIVERSITY 2019-11-14 — — US disclosed
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NORTHEASTERN UNIVERSITY 2019-11-14 — — US disclosed
WO-2019217977-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND USE THEREOF NORTHEASTERN UNIVERSITY (US) 2019-11-14 — — 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 (3 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-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NAAA, NAT1, ACHE NAAA 1/4885LMNA 4540/4885SMN1; SMN2 675/4885
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NAAA, NAT1, ACHE NAAA 1/4885LMNA 4540/4885SMN1; SMN2 675/4885
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 NAAA 2699/4885LMNA 117/4885SMN1; SMN2 2163/4885

“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.

Send feedback