Sugi Predict

Sugi Predict / Compounds / SCHEMBL5775091

SCHEMBL5775091

SCHEMBL5775091

O=C(O)C1CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.67
▸ TP53 P04637 2/20 0.58
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 3/20 0.47
▸ KDM1A O60341 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL7002979 1.00 SLC9A1 (0.67) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL6902353 1.00 SLC9A1 (0.67) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL31406306 0.90 SLC9A1 (0.59) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL5778769 0.87 SLC9A1 (0.74) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL1817579 0.83 SLC9A1 (0.52) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL30879550 0.83 SLC9A1 (0.62) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL1817582 0.83 SLC9A1 (0.52) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL21200122 0.83 SLC9A1 (0.65) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL21200120 0.83 SLC9A1 (0.65) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL1817577 0.83 SLC9A1 (0.52) SLC9A1TP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 — — EP claimed
CN-103702984-B As N-(benzimidazolyl-2 radicals-yl)-cyclopropane carboxamide class of lysophosphatide acid antagonist MERCK PATENT GMBH (DE) 2016-05-11 — — CN claimed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 — — US claimed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 — — US claimed
EP-2742029-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS Merck Patent GmbH (DE) 2014-06-18 — — EP claimed
CN-103702984-A N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH 2014-04-02 — — CN claimed
WO-2013020622-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2013-02-14 — — WO claimed
US-20240199624-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION INC (US) 2024-06-20 — — US disclosed
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — WO disclosed
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 — — US disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 — — EP disclosed
WO-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 — — EP disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 — — US disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 — — EP disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 — — US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 — — US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 — — EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 — — EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 — — 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 (4 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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 SLC9A1 4163/4885TP53 3379/4885MAPT 4877/4885
US-20240199624-A1 COMPOUNDS, COMPOSITIONS, AND METHODS MSH2, KRAS, CHAMP1 SLC9A1 2775/4885TP53 14/4885MAPT 1904/4885
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION CBLB, CBL, CBLC SLC9A1 4850/4885TP53 375/4885MAPT 1811/4885
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E SLC9A1 4616/4885TP53 1583/4885MAPT 1337/4885

“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.