SCHEMBL1077421

SCHEMBL1077421

CC(Br)C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP7 Q9UHL4 4/20 0.36
DPP4 P27487 4/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL11060294 0.98 ALDH1A1 (0.44) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL11151481 0.90 MEN1 (0.40) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL5518645 0.82 HPGD (0.43) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL5303512 0.80 ALDH1A1 (0.46) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL9036055 0.79 SMN1; SMN2 (0.50) HPGDALDH1A1HTTMMP1MMP8
SCHEMBL10673680 0.79 CA2 (0.45) HPGDALDH1A1MEN1KMT2A
SCHEMBL1106510 0.79 CHRNB2 (0.46) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL8488960 0.78 HPGD (0.41) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL8487951 0.78 HPGD (0.41) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL25447805 0.77 ALDH1A1 (0.48) HPGDALDH1A1HTTMMP1MMP2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
EP-2812001-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
EP-2812001-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 WO disclosed
US-8288534-B2 Process for the preparation a ruthenium complex ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288534-B2 Process for the preparation a ruthenium complex ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288534-B2 Process for the preparation a ruthenium complex ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed
EP-2276725-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. Hoffmann-La Roche AG (CH) 2011-01-26 EP disclosed
US-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX ROCHE PALO ALTO LLC 2010-11-11 US disclosed
WO-2009124853-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-15 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 (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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HPGD 1295/4885ALDH1A1 1213/4885HTT 3955/4885
US-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX CYP3A4, CYP3A5, CYP3A7 HPGD 621/4885ALDH1A1 1321/4885HTT 2958/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HPGD 1295/4885ALDH1A1 1213/4885HTT 3955/4885

“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.