Sugi Predict

Sugi Predict / Compounds / SCHEMBL2105879

SCHEMBL2105879

SCHEMBL2105879

COc1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HSD17B10 Q99714 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.48
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 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
SCHEMBL2100704 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10GPR35GRIN2DGRIN3B
SCHEMBL7945543 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10GPR35GRIN2DGRIN3B
SCHEMBL27912590 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10GPR35GRIN2DGRIN3B
SCHEMBL11802804 0.83 GAA (0.47) ALDH1A1HSD17B10GPR35GRIN2DGRIN3B
SCHEMBL9564084 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL3227962 0.81 MAPK1 (0.55) ALDH1A1HSD17B10MAPTSMN1; SMN2LMNA
SCHEMBL21772122 0.79 KMT2A (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL10985004 0.79 ALDH1A1 (0.64) ALDH1A1HSD17B10GPR35MAPTSMN1; SMN2
SCHEMBL3796689 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10GPR35MAPTSMN1; SMN2
SCHEMBL25187428 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR35GRIN2DGRIN3B

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
EP-0211775-B1 PROCESS FOR NITRATING PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1991-02-27 — — EP claimed
CN-115960073-B N-halogenated acetyl diphenylamine derivative and preparation method and medical application thereof 中国药科大学 2024-09-27 — — CN disclosed
US-10072017-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-09-11 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
WO-2017117239-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2017-07-06 — — WO disclosed
WO-2017117239-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2017-07-06 — — WO disclosed
EP-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 — — EP disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 — — US disclosed
CN-103172536-A Preparation method of 4-amino-2,6-dichloro-alpha-(4-chlorphenyl) benzyl cyanide CHANGZHOU YABANG QH PHARMACHEM CO LTD 2013-06-26 — — CN disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 — — EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 — — WO disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 — — US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 — — US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 — — US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 — — US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 — — EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 — — EP disclosed
US-4723043-A Nitration of phenolic compounds RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-02-02 — — US disclosed
US-4139621-A TRANQUILIZERS BEECHAM GROUP LIMITED (GB) 1979-02-13 — — 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-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 471/4885HSD17B10 552/4885GPR35 1707/4885
US-10072017-B2 Compounds and methods for the treatment of cystic fibrosis CFTR, SERPINB1, ELANE ALDH1A1 471/4885HSD17B10 552/4885GPR35 1707/4885

“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.