SCHEMBL3700157

SCHEMBL3700157

COC(=O)c1c(C)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HSP90AA1 P07900 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCC4 O15439 1/20 0.44
PLIN1 O60240 1/20 0.44
CACNA1F O60840 1/20 0.44
GMNN O75496 1/20 0.44
KCNK2 O95069 1/20 0.44
ABCB11 O95342 1/20 0.44
GSR P00390 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL27474592 0.88 LMNA (0.47) LMNAHSP90AA1TDP1L3MBTL1SMN1; SMN2
SCHEMBL4695615 0.86 TDP1 (0.53) LMNATDP1SMN1; SMN2MAPTKMT2A
SCHEMBL1584481 0.84 TSHR (0.46) LMNATDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL28410153 0.83 TDP1 (0.44) LMNAHSP90AA1TDP1SMN1; SMN2MAPT
SCHEMBL3708148 0.82 TDP1 (0.47) HSP90AA1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL3700713 0.82 TDP1 (0.60) LMNATDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL773633 0.81 TDP1 (0.59) LMNATDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL27474575 0.81 TDP1 (0.46) LMNAHSP90AA1TDP1L3MBTL1SMN1; SMN2
SCHEMBL11638782 0.79 SMN1; SMN2 (0.50) LMNAHSP90AA1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5635837 0.79 TDP1 (0.53) LMNATDP1SMN1; SMN2MAPTKMT2A

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 6 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
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
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 LMNA 1475/4885HSP90AA1 1038/4885TDP1 890/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 1475/4885HSP90AA1 1038/4885TDP1 890/4885

“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.