Sugi Predict

Sugi Predict / Compounds / SCHEMBL3700713

SCHEMBL3700713

SCHEMBL3700713

Cc1ccc([N+](=O)[O-])c(Cl)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TSHR P16473 5/20 0.51
▸ CASP6 P55212 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ALDH1A1 P00352 2/20 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
SCHEMBL11151271 0.86 TDP1 (0.60) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL3708148 0.86 TDP1 (0.47) TDP1L3MBTL1TSHRCES2CES1
SCHEMBL912772 0.82 TDP1 (0.60) TDP1L3MBTL1TSHRCASP6MAPK1
SCHEMBL1585078 0.82 TDP1 (0.64) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL3700157 0.82 LMNA (0.47) TDP1L3MBTL1TSHRMAPK1SMN1; SMN2
SCHEMBL12086987 0.81 TDP1 (0.62) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL10485141 0.80 TDP1 (0.52) TDP1L3MBTL1TSHRMAPK1SMN1; SMN2
SCHEMBL14649317 0.79 MEN1 (0.55) TDP1L3MBTL1TSHRMAPK1SMN1; SMN2
SCHEMBL913380 0.79 TDP1 (0.47) TDP1L3MBTL1TSHRCASP6MAPK1
SCHEMBL6137884 0.79 LMNA (0.51) TDP1L3MBTL1TSHRCASP6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
EP-2734520-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-09-14 — — EP disclosed
US-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-08-25 — — US disclosed
US-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-08-25 — — US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
CN-103298474-B Heterocyclic compound and application thereof 无限药品股份有限公司 2016-06-29 — — CN disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 — — US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 — — US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 — — US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
EP-2637669-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2013-09-18 — — EP disclosed
CN-103298474-A Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS INC 2013-09-11 — — CN disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 — — US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 — — US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 — — WO disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 — — WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — 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 (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-20160244452-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885TSHR 4224/4885
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885TSHR 4224/4885
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885TSHR 4224/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885TSHR 4224/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885TSHR 4224/4885

“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.