SCHEMBL7872295

SCHEMBL7872295

C=CCc1ccc(Br)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
PTPN1 P18031 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
POLB P06746 1/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MTOR P42345 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3078081 0.79 XDH (0.46) MAPTKMT2AGAAALOX12ALDH1A1
SCHEMBL868076 0.79 ERN1 (0.53) ERN1PTGDR2LMNACYP2A6ALDH1A1
SCHEMBL8665741 0.78 LMNA (0.41) MAPTLMNAKMT2AGAAALOX12
SCHEMBL21558307 0.78 GABRA1 (0.35) MAPTGAAALDH1A1MAPK1GABRA1
SCHEMBL7141385 0.78 GABRA1 (0.39) PTGDR2MAPTLMNAKMT2AGAA
SCHEMBL26655793 0.77 ERN1 (0.57) ERN1PTGDR2CYP2A6ALDH1A1PTPN1
SCHEMBL11223610 0.76 LMNA (0.40) MAPTLMNAKMT2AGAAALOX12
SCHEMBL22341038 0.76 KMT2A (0.38) MAPTLMNAKMT2AGAAALOX12
SCHEMBL7164123 0.76 KDM4E (0.33) ERN1MAPTLMNAKMT2APTPN1
SCHEMBL38665606 0.76 ERN1 (0.50) ERN1PTGDR2CYP2A6ALDH1A1PTPN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
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-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-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ERN1 4371/4885PTGDR2 2707/4885MAPT 2212/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ERN1 4371/4885PTGDR2 2707/4885MAPT 2212/4885

“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.