SCHEMBL4733311

SCHEMBL4733311

CCCCCc1ncc([N+](=O)[O-])s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ATG4B Q9Y4P1 5/20 0.45
▸ MAPK8 P45983 3/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDR P35968 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL10399833 0.83 ALDH1A1 (0.49) LMNAALDH1A1HPGDALOX15ATG4B
SCHEMBL12446505 0.81 ALDH1A1 (0.53) LMNAALDH1A1HPGDALOX15ATG4B
SCHEMBL8044706 0.75 MAPK8 (0.63) LMNAALDH1A1HPGDALOX15ATG4B
SCHEMBL16208277 0.74 LMNA (0.61) LMNAALDH1A1ATG4BMAPK8MAPK9
SCHEMBL5888997 0.72 CCNE1 (0.43) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2820592 0.72 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3262231 0.72 KDR (0.51) LMNAALDH1A1HPGDALOX15ATG4B
SCHEMBL3262230 0.72 KDR (0.51) LMNAALDH1A1HPGDALOX15ATG4B
SCHEMBL2821023 0.70 ALDH1A1 (0.46) ALDH1A1ALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL8654197 0.70 KMT2A (0.48) ALDH1A1MEN1KMT2AMAPTHTT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4006241-A Certain halothien-2-yl 5-nitrothiazol-2-yl ketones and fungicidal composition SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US claimed
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 — — EP disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
CN-1807426-A Heteroaryl urea neuropeptide y y5 receptor antagonists SCHERING CORP (US) 2006-07-26 — — CN disclosed
US-20060030588-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION 2006-02-09 — — US disclosed
US-6982267-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2006-01-03 — — US disclosed
US-6946476-B2 For therapy of metabolic and eating disorders such as obesity and hyperphagia, diabetes SCHERING CORPORATION (US) 2005-09-20 — — US disclosed
CN-1482912-A Heteroaryl urea neuropeptide yy5 receptor antagonists ���鹫˾ 2004-03-17 — — CN disclosed
EP-1343503-A4 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2004-03-17 — — EP disclosed
US-20040006086-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists MERCK SHARP & DOHME CORP. 2004-01-08 — — US disclosed
EP-1343503-A1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS Schering Corporation (US) 2003-09-17 — — EP disclosed
US-20030055062-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION 2003-03-20 — — US disclosed
WO-2002049648-A1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2002-06-27 — — WO disclosed
US-4006241-A Certain halothien-2-yl 5-nitrothiazol-2-yl ketones and fungicidal composition SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US disclosed
US-3835131-A 2-ACYL-5-NITROTHIAZOLE DERIVATIVES SCHERING AG 1974-09-10 — — 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 (3 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-20030055062-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, NPY2R LMNA 4606/4885ALDH1A1 4694/4885HPGD 3189/4885
US-20040006086-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, NPY2R LMNA 4606/4885ALDH1A1 4694/4885HPGD 3189/4885
US-20060030588-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, NPY2R LMNA 4605/4885ALDH1A1 4796/4885HPGD 3095/4885

“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.

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