SCHEMBL1106586

SCHEMBL1106586

[C-]#[N+]c1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.48
PARP4 Q9UKK3 2/20 0.48
PARP15 Q460N3 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP1 P09874 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
Terephthalamide SCHEMBL23774 0.79 PARP1 (0.71) PARP10PARP4PARP15KMT2AALDH1A1
SCHEMBL8141436 0.78 TSHR (0.60) ALDH1A1TSHRCA2CA1CA12
SCHEMBL799536 0.76 ALDH1A1 (0.43) ALDH1A1TSHRCA2CA1HDAC3
SCHEMBL838030 0.76 MAPT (0.48) KMT2AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1106593 0.76 HTT (0.45) MAPTHSD17B10HDAC3HDAC4HDAC1
SCHEMBL6260247 0.76 PARP10 (0.48) PARP10PARP4PARP15KMT2AALDH1A1
Terephthalamide SCHEMBL11512422 0.76 PARP1 (0.67) PARP10PARP4PARP15KMT2AALDH1A1
Terephthalamide SCHEMBL7508927 0.76 PARP1 (0.67) PARP10PARP4PARP15KMT2AALDH1A1
Terephthalamide SCHEMBL15328883 0.76 PARP1 (0.67) PARP10PARP4PARP15KMT2AALDH1A1
Terephthalamide SCHEMBL1906838 0.76 PARP1 (0.67) PARP10PARP4PARP15KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234913-A1 METHOD FOR PREPARING PRIMARY AMIDE COMPOUNDS FROM SECONDARY OR TERTIARY AMIDES INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2023-07-27 US disclosed
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-8455525-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2013-06-04 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8067448-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2011-11-29 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (6 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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R PARP10 2741/4885PARP4 2772/4885PARP15 2900/4885
US-20230234913-A1 METHOD FOR PREPARING PRIMARY AMIDE COMPOUNDS FROM SECONDARY OR TERTIARY AMIDES CA3, NAAA, ATL3 PARP10 2269/4885PARP4 2845/4885PARP15 2512/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PARP10 1928/4885PARP4 1246/4885PARP15 1120/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 PARP10 2631/4885PARP4 2839/4885PARP15 2729/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PARP10 1928/4885PARP4 1246/4885PARP15 1120/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 PARP10 2631/4885PARP4 2839/4885PARP15 2729/4885

“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.