SCHEMBL2074834

SCHEMBL2074834

O=[N+]([O-])c1ccccc1CO[C]OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.55
MAOB P27338 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9260 0.87 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL28411579 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL77922 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL3937020 0.80 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL23091898 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL1520430 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL12006800 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL8723683 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL22590899 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTMAOB
SCHEMBL18033994 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030496-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7897783-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-11-27 US disclosed
EP-1857456-A1 PROCESS FOR PRODUCING COMPOUND WITH ANTI-HCV POTENCY AND INTERMEDIATE FOR USE THEREIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-21 EP disclosed
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP 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-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS ALDH1A1 1976/4885TSHR 4662/4885HPGD 2214/4885
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof HCCS, EIF2AK2, MAVS ALDH1A1 813/4885TSHR 4447/4885HPGD 2291/4885
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS ALDH1A1 1976/4885TSHR 4662/4885HPGD 2214/4885
US-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 ALDH1A1 399/4885TSHR 1026/4885HPGD 404/4885

“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.