SCHEMBL2128565

SCHEMBL2128565

CC(Cc1ncccc1C(=O)O)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ AGER Q15109 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NAPRT Q6XQN6 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MYC P01106 1/20 0.39
▸ CYP2C9 P11712 1/20 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
SCHEMBL30338955 0.82 KDM4E (0.46) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL22922739 0.82 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL5741323 0.79 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL5741851 0.77 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL2750934 0.76 TDP1 (0.42) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL30716129 0.76 KDM4E (0.42) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL2131018 0.74 KDM4E (0.44) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL21958054 0.73 KDM4E (0.40) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL31245523 0.73 KDM4E (0.40) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL123202 0.73 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4

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-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 — — US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 — — US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 — — US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 — — US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 — — US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 — — 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 KDM4E 920/4885TDP1 3619/4885ALDH1A1 2214/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KDM4E 920/4885TDP1 3619/4885ALDH1A1 2214/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KDM4E 920/4885TDP1 3619/4885ALDH1A1 2214/4885

“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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