Sugi Predict

Sugi Predict / Compounds / SCHEMBL2017690

SCHEMBL2017690

SCHEMBL2017690

CC(=O)N(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPT P10636 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ TSHR P16473 5/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ BAZ1A Q9NRL2 1/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ GLO1 Q04760 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NPC1 O15118 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
SCHEMBL12550512 0.88 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL4959484 0.87 ATM (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL15155882 0.87 ATM (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL13698360 0.84 ATM (0.73) ALDH1A1MAPTMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL5827832 0.84 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL8761430 0.84 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7195191 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3219108 0.83 MAPK1 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3219663 0.83 SIGMAR1 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7836852 0.82 ATM (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 — — US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 — — US disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 — — US disclosed
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 — — US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 — — US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 — — CN disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 — — US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 — — EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 — — US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 — — US disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 — — CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 — — CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 — — EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 — — CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 — — EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 — — 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 (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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 2625/4885MAPT 4202/4885MEN1 3780/4885
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ALDH1A1 1600/4885MAPT 705/4885MEN1 3222/4885
US-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 ALDH1A1 1686/4885MAPT 4689/4885MEN1 3520/4885
US-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK ALDH1A1 4396/4885MAPT 3517/4885MEN1 4436/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 2625/4885MAPT 4202/4885MEN1 3780/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 ALDH1A1 339/4885MAPT 4677/4885MEN1 2703/4885

“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.