SCHEMBL14422840

SCHEMBL14422840

Cn1c(=O)cc2c3c(c(N4CCCCC4)ccc31)C(=O)c1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ MAPK1 P28482 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ L3MBTL1 Q9Y468 7/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ NSD2 O96028 4/20 1.00
▸ POLB P06746 3/20 1.00
▸ TDP1 Q9NUW8 3/20 1.00
▸ THRB P10828 2/20 1.00
▸ S100A4 P26447 1/20 1.00
▸ CYP1A2 P05177 1/20 0.62
▸ ADORA2A P29274 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.50
▸ EGFR P00533 2/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ PABPC1 P11940 1/20 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
SCHEMBL2481237 0.77 ADORA2A (1.00) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL2483117 0.77 CYP1A2 (0.71) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL30442565 0.75 MAPT (0.60) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL30678387 0.75 MAPT (0.60) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL12311435 0.75 MAPT (0.60) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL13295898 0.74 CYP1A2 (0.67) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL2464584 0.72 L3MBTL1 (0.74) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL12311502 0.72 NR4A1 (0.79) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL3273424 0.70 MAPT (0.97) MAPTMAPK1KMT2AL3MBTL1MEN1
SCHEMBL12311433 0.69 CYP1A2 (0.59) MAPTMAPK1KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 — — US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 — — US disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 — — US disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 — — US disclosed
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 — — WO disclosed
US-20070225310-A1 Antiviral methods and compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 — — 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 (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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 MAPT 1877/4885MAPK1 3847/4885KMT2A 794/4885
US-20070225310-A1 Antiviral methods and compositions EIF2AK2, ZC3HAV1, MAVS MAPT 2836/4885MAPK1 4213/4885KMT2A 3900/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 MAPT 1877/4885MAPK1 3847/4885KMT2A 794/4885

“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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