SCHEMBL12868409

SCHEMBL12868409

Cn1c(C(=O)C(C)(C)C)c(Cl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.46
▸ MAPT P10636 6/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PKM P14618 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43

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
SCHEMBL16975852 0.85 KMT2A (0.57) ALDH1A1MAPTL3MBTL1NPC1NPSR1
SCHEMBL7482958 0.81 MCL1 (0.52) ALDH1A1MAPTL3MBTL1NPC1NPSR1
SCHEMBL12883765 0.77 TSHR (0.55) ALDH1A1MAPTL3MBTL1NPC1NPSR1
Hydrochloric Acid SCHEMBL8687498 0.71 NPC1 (0.42) ALDH1A1MAPTL3MBTL1NPC1NPSR1
SCHEMBL11420999 0.70 ALDH1A1 (0.65) ALDH1A1MAPTL3MBTL1NPC1NPSR1
SCHEMBL17484805 0.69 TSHR (0.66) ALDH1A1MAPTL3MBTL1NPSR1HTT
SCHEMBL9038399 0.69 CCR2 (0.51) ALDH1A1MAPTL3MBTL1NPC1NPSR1
SCHEMBL5001736 0.69 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL7673745 0.69 EGFR (0.42) ALDH1A1MAPTL3MBTL1NPC1NPSR1
SCHEMBL30039436 0.69 GPR3 (0.58) ALDH1A1MAPTL3MBTL1NPC1NPSR1

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-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ALDH1A1 1505/4885MAPT 2212/4885L3MBTL1 1974/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885MAPT 2380/4885L3MBTL1 2918/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1505/4885MAPT 2212/4885L3MBTL1 1974/4885

“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