SCHEMBL733333

SCHEMBL733333

Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.70
MAPT P10636 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
TP53 P04637 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
PKM P14618 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
THPO P40225 2/20 0.54
MTOR P42345 2/20 0.54
PMP22 Q01453 2/20 0.54
NFKB1 P19838 1/20 0.54
PPARG P37231 1/20 0.54

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
SCHEMBL18146442 0.85 RORC (0.81) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL34474784 0.83 RORC (0.73) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29568686 0.82 RORC (1.00) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14671422 0.82 RORC (1.00) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15668418 0.80 RORC (0.68) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL733243 0.79 CYP1A2 (0.58) CYP1A2CYP2C19NPC1RAB9AALDH1A1
SCHEMBL25394310 0.78 MAPT (0.71) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL733479 0.78 ALDH1A1 (0.69) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL734944 0.78 NPC1 (0.64) RORCMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7372444 0.78 NPC1 (0.71) MAPTMEN1KMT2ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
EP-3029041-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2020-03-04 EP disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2018-12-20 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
EP-3029041-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS Corporation (US) 2016-06-08 EP disclosed
EP-2223922-B1 Inhibitors of human phosphatidyl-inositol 3-kinase delta ICOS CORP (US) 2016-03-02 EP disclosed
US-6800620-B2 CONTACTING LEUKOCYTES, OSTEOCLASTS WITH AN ENZYME INHIBITORS, A 9H-PURIN-3H-QUINAZOLIN-4-ONE DERIVATIVES, TREATING BONE-RESORPTION DISORDER, ANTIPROLIFERATIVE AGENTS TREATING LEUKEMIA CELLS ICOS 2004-10-05 US disclosed
EP-1438052-A1 INHIBITORS OF HUMAN PHOSPHATIDYL−INOSITOL 3−KINASE DELTA ICOS CORPORATION (US) 2004-07-21 EP disclosed
US-6667300-B2 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION 2003-12-23 US disclosed
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US disclosed
CN-1440408-A Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP (US) 2003-09-03 CN disclosed
WO-2003035075-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-05-01 WO disclosed
US-6518277-B1 Disrupting leukocyte function ICOS CORPORATION 2003-02-11 US disclosed
EP-1278748-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-01-29 EP disclosed
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION, A DELAWARE CORPORATION 2002-10-31 US disclosed
WO-2001081346-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2001-11-01 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 (8 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG RORC 527/4885MAPT 4668/4885MEN1 3818/4885
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG RORC 527/4885MAPT 4668/4885MEN1 3818/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG RORC 893/4885MAPT 4869/4885MEN1 3598/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG RORC 527/4885MAPT 4668/4885MEN1 3818/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG RORC 517/4885MAPT 4745/4885MEN1 3733/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG RORC 527/4885MAPT 4668/4885MEN1 3818/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG RORC 527/4885MAPT 4668/4885MEN1 3818/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG RORC 527/4885MAPT 4668/4885MEN1 3818/4885

“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.