SCHEMBL2118310

SCHEMBL2118310

COC(=O)c1ccc2ccn(CCN3CCCCC3)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
KDM4E B2RXH2 6/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL2116922 0.85 HDAC6 (0.47) SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2116523 0.83 PKM (0.48) SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1
SCHEMBL2116343 0.82 KDM4E (0.46) SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1
SCHEMBL2118015 0.80 TNF (0.47) SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1
SCHEMBL2611532 0.80 TNF (0.45) SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1
Hydrochloric Acid SCHEMBL2118693 0.79 TNF (0.44) SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1
SCHEMBL2116313 0.79 HDAC1 (0.48) KDM4EMAPTHTTALDH1A1HSD17B10
SCHEMBL2116515 0.77 ALDH1A1 (0.46) SMN1; SMN2CYP2C9CYP2C19KDM4ENPSR1
SCHEMBL31352381 0.77 HTR7 (0.53) SMN1; SMN2KDM4EATMMAPTHTT
SCHEMBL6703820 0.76 MAPK1 (0.56) SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6

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
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SMN1; SMN2 848/4885CYP2C9 2598/4885CYP2C19 2985/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SMN1; SMN2 848/4885CYP2C9 2598/4885CYP2C19 2985/4885

“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.