SCHEMBL2536634

SCHEMBL2536634

COc1ccc2c(C=C[N+](=O)[O-])c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
FBP1 P09467 2/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
GFER P55789 1/20 0.46
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL2536633 1.00 MAPT (0.63) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL29637948 1.00 MAPT (0.63) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3010460 0.89 ALDH1A1 (0.63) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3010462 0.89 ALDH1A1 (0.63) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5148252 0.83 TLR4 (0.55) MAPTALDH1A1KDM4EFBP1
SCHEMBL5148253 0.83 TLR4 (0.55) MAPTALDH1A1KDM4EFBP1
SCHEMBL11912926 0.82 FBP1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2538089 0.82 FBP1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2538092 0.82 FBP1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2537403 0.79 MAOA (0.57) MAPTALDH1A1KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886642-A Selenium-rich nutrient solution for tartary buckwheat production and application 成都大学 2024-04-16 CN claimed
CN-117886642-A Selenium-rich nutrient solution for tartary buckwheat production and application 成都大学 2024-04-16 CN disclosed
CN-109824664-B Antineoplastic indole alkaloid compounds and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2022-06-07 CN disclosed
CN-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 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 (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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B MAPT 3701/4885ALDH1A1 1218/4885KDM4E 1970/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAPT 3701/4885ALDH1A1 1218/4885KDM4E 1970/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAPT 3701/4885ALDH1A1 1218/4885KDM4E 1970/4885

“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.