SCHEMBL2611532

SCHEMBL2611532

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
TLR8 Q9NR97 3/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ITK Q08881 1/20 0.40

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
Hydrochloric Acid SCHEMBL2118693 0.99 TNF (0.44) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2118015 0.88 TNF (0.47) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2116523 0.86 PKM (0.48) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2116343 0.85 KDM4E (0.46) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2120793 0.84 HDAC6 (0.47) TNFHDAC3HDAC1HDAC6PLG
SCHEMBL2116182 0.83 MCL1 (0.53) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2116050 0.82 TNF (0.41) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2118398 0.82 MAPT (0.45) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31607727 0.81 TNF (0.52) TNFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27137476 0.81 TNF (0.52) TNFKDM4EALDH1A1HPGDHSD17B10

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 7 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-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
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 TNF 649/4885KDM4E 769/4885ALDH1A1 298/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 TNF 649/4885KDM4E 769/4885ALDH1A1 298/4885

“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.