Sugi Predict

Sugi Predict / Compounds / SCHEMBL3708148

SCHEMBL3708148

SCHEMBL3708148

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 6/20 0.44
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PPIA P62937 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ VCAM1 P19320 1/20 0.38

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
SCHEMBL3700713 0.86 TDP1 (0.60) TDP1L3MBTL1TSHRHSD17B10CYP3A4
SCHEMBL29007688 0.84 TDP1 (0.49) TDP1L3MBTL1TSHRHSD17B10CYP3A4
SCHEMBL3882207 0.82 TDP1 (0.60) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL3700157 0.82 LMNA (0.47) TDP1L3MBTL1TSHRHSD17B10CYP3A4
SCHEMBL12987642 0.79 TDP1 (0.47) TDP1TSHRCYP3A4HTR2AHTR2C
SCHEMBL27323523 0.78 TDP1 (0.46) TDP1L3MBTL1TSHRHSD17B10CYP3A4
SCHEMBL5635692 0.77 TDP1 (0.63) TDP1L3MBTL1TSHRHSD17B10CYP3A4
SCHEMBL31151600 0.77 TDP1 (0.72) TDP1L3MBTL1TSHRHSD17B10ALDH1A1
SCHEMBL6655711 0.77 TDP1 (0.72) TDP1L3MBTL1TSHRHSD17B10ALDH1A1
SCHEMBL7988682 0.77 ALDH1A1 (0.50) TDP1L3MBTL1TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20150031672-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.