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SCHEMBL16627083

SCHEMBL16627083

CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MT-CO2 P00403 1/20 0.40
▸ CHRM4 P08173 4/20 0.39
▸ CHRM3 P20309 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL28440815 0.95 ATM (0.46) ATMTDP1L3MBTL1PAX8GSK3B
SCHEMBL7927992 0.89 MT-CO2 (0.46) ATMTDP1L3MBTL1PAX8ALDH1A1
SCHEMBL922803 0.89 MT-CO2 (0.46) ATMTDP1L3MBTL1PAX8ALDH1A1
SCHEMBL13148722 0.89 MT-CO2 (0.46) ATMTDP1L3MBTL1PAX8ALDH1A1
SCHEMBL504005 0.86 L3MBTL1 (0.55) ATMTDP1L3MBTL1ALDH1A1GSK3B
SCHEMBL13148728 0.85 PAX8 (0.42) ATMTDP1L3MBTL1PAX8ALDH1A1
SCHEMBL517256 0.83 MT-CO2 (0.42) L3MBTL1ALDH1A1MT-CO2NPC1RAB9A
SCHEMBL13148775 0.83 TDP1 (0.49) ATMTDP1L3MBTL1PAX8ALDH1A1
SCHEMBL13148723 0.83 TDP1 (0.49) ATMTDP1L3MBTL1PAX8ALDH1A1
SCHEMBL13148766 0.83 TDP1 (0.49) ATMTDP1L3MBTL1PAX8ALDH1A1

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
EP-3053910-B1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL CORP (JP) 2021-04-28 — — EP disclosed
EP-3053910-B1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL CORP (JP) 2021-04-28 — — EP disclosed
US-10700283-B2 Aniline derivatives and uses thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-06-30 — — US disclosed
US-10700283-B2 Aniline derivatives and uses thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-06-30 — — US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 — — US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 — — US disclosed
EP-3053910-A1 ANILINE DERIVATIVES AND USES THEREOF Nissan Chemical Industries, Ltd. (JP) 2016-08-10 — — EP disclosed
EP-3053910-A1 ANILINE DERIVATIVES AND USES THEREOF Nissan Chemical Industries, Ltd. (JP) 2016-08-10 — — EP disclosed
WO-2015050253-A1 ANILINE DERIVATIVES AND USES THEREOF 日産化学工業株式会社 2015-04-09 — — 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 (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-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF SLC18A1, SLC18A2, SLC43A1 ATM 3871/4885TDP1 1871/4885L3MBTL1 3759/4885
US-10700283-B2 Aniline derivatives and uses thereof SLC18A1, SLC18A2, SLC43A1 ATM 3871/4885TDP1 1871/4885L3MBTL1 3759/4885

“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.