Sugi Predict

Sugi Predict / Compounds / SCHEMBL2461666

SCHEMBL2461666

SCHEMBL2461666

CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.66
▸ MAPT P10636 6/20 0.66
▸ LMNA P02545 6/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ GAA P10253 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ HPGD P15428 1/20 0.66
▸ MAPK1 P28482 1/20 0.65
▸ WDR5 P61964 4/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ HTT P42858 2/20 0.60
▸ SIRT6 Q8N6T7 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL30464734 1.00 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL5557064 0.94 WDR5 (0.66) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL7803729 0.89 HTT (0.60) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL30464729 0.87 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL10036442 0.87 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL15244155 0.87 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL29556892 0.86 SIRT6 (0.58) ALDH1A1LMNASMN1; SMN2GAAMEN1
SCHEMBL283385 0.86 SIRT6 (0.58) ALDH1A1LMNASMN1; SMN2GAAMEN1
SCHEMBL6815260 0.85 GAA (0.69) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3313887 0.84 GAA (0.72) ALDH1A1MAPTLMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 — — CN disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 — — US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 — — US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 — — US disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 — — US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 — — CN disclosed
WO-2021074251-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER SENTINEL ONCOLOGY LIMITED (GB) 2021-04-22 — — WO disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 — — US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 — — EP disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 — — US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 — — US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 — — US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 — — US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 — — US disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 — — EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 — — WO disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 — — 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 (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-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT ALDH1A1 3541/4885MAPT 3403/4885LMNA 3929/4885
US-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 ALDH1A1 1300/4885MAPT 3337/4885LMNA 3033/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT ALDH1A1 3541/4885MAPT 3403/4885LMNA 3929/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885LMNA 2990/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 ALDH1A1 3670/4885MAPT 25/4885LMNA 1570/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 ALDH1A1 1300/4885MAPT 3337/4885LMNA 3033/4885

“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.