SCHEMBL759274

SCHEMBL759274

Cc1ccnc(SCC(=O)O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 1.00
KMT2A Q03164 4/20 0.73
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 6/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 2/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL14444179 0.86 ALOX15 (0.76) ALOX15KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3283375 0.85 KMT2A (1.00) ALOX15KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6087618 0.81 ALOX15 (0.68) ALOX15KMT2ARAB9AALDH1A1POLB
SCHEMBL21241310 0.80 ALOX15 (0.66) ALOX15KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8363955 0.80 ALOX15 (0.66) ALOX15KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6086652 0.79 ALOX15 (0.66) ALOX15KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6087224 0.79 ALOX15 (0.66) ALOX15KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11074847 0.79 ALOX15 (0.66) ALOX15KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5717697 0.78 GAA (0.66) ALOX15KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1286047 0.75 ALOX15 (0.59) ALOX15KMT2ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed
WO-2000053579-A2 SOLID PHASE SYNTHESIS OF 4-AMINOPROLINE DERIVATIVES AND/OR COMBINATORIAL LIBRARIES THEREOF AXYS PHARMACEUTICALS, INC. (US) 2000-09-14 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 (5 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALOX15 1301/4885KMT2A 2791/4885RAB9A 1738/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALOX15 1301/4885KMT2A 2791/4885RAB9A 1738/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 ALOX15 2627/4885KMT2A 2993/4885RAB9A 3336/4885
US-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 ALOX15 1276/4885KMT2A 4362/4885RAB9A 2932/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 ALOX15 2390/4885KMT2A 3965/4885RAB9A 740/4885

“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.