SCHEMBL190366

SCHEMBL190366

O=[C]Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
LMNA P02545 2/20 0.57
PYCR1 P32322 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
ACHE P22303 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL347820 0.84 TSHR (0.61) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL7206952 0.84 PYCR1 (0.61) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL7934234 0.81 TSHR (0.57) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL10918542 0.80 TSHR (0.71) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL5250015 0.79 TSHR (0.65) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL29864638 0.79 TSHR (0.65) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL1491377 0.79 TSHR (0.59) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL94845 0.79 TSHR (0.69) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL8713184 0.79 TSHR (0.69) TSHRLMNAPYCR1CYP1A2CYP2D6
SCHEMBL10651848 0.78 TSHR (0.62) TSHRLMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-10640761-B2 Multivalent phage display systems and methods UNIVERSITY OF OSLO (NO) 2020-05-05 US disclosed
US-20170211060-A1 MULTIVALENT PHAGE DISPLAY SYSTEMS AND METHODS UNIVERSITY OF OSLO (NO) 2017-07-27 US disclosed
US-9598692-B2 Multivalent phage display systems and methods UNIVERSITY OF OSLO (NO) 2017-03-21 US disclosed
US-8969253-B2 Method for screening phage display libraries against each other NEXTERA AS (NO) 2015-03-03 US disclosed
US-8946128-B2 Signal sequence-independent pIX phage display NEXTERA AS (NO) 2015-02-03 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 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 (1 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL TSHR 4781/4885LMNA 2624/4885PYCR1 2560/4885

“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.