SCHEMBL6842191

SCHEMBL6842191

O=C(O)c1ccccc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 5/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LTA4H P09960 1/20 0.49
PLA2G2A P14555 1/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
FOLH1 Q04609 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9018926 0.89 RAB9A (0.49) TSHRCA1CA2CA9MEN1
SCHEMBL30100506 0.86 KMT2A (0.51) TSHRCA1CA2CA9MEN1
SCHEMBL13240457 0.86 ALDH1A1 (0.49) TSHRCA1CA2CA9MEN1
SCHEMBL13240460 0.86 KMT2A (0.49) TSHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1114464 0.86 TSHR (0.54) TSHRCA1CA2CA9MEN1
SCHEMBL11824132 0.84 MAPT (0.55) TSHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL26103989 0.84 CTSD (0.55) TSHRCA1CA2SMN1; SMN2MAPT
SCHEMBL6381741 0.83 MAPT (0.57) TSHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11816534 0.83 MAPT (0.60) TSHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2181344 0.82 MAPK1 (0.50) TSHRCA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 US disclosed
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP disclosed
EP-0706419-B1 INTERFACIAL POLYMERIZATION IN A POROUS SUBSTRATE AND SUBSTRATES FUNCTIONALIZED WITH PHOTOCHEMICAL GROUPS MINNESOTA MINING & MFG (US) 2002-11-13 EP disclosed
US-5627217-A NONBLOCKING COATING ON FIBERS; MICROFILTRATION; BIOCHEMICAL REACTIONS; SEPARATIONS; ANTIFOULING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 US disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
EP-0706419-A1 INTERFACIAL POLYMERIZATION IN A POROUS SUBSTRATE AND SUBSTRATES FUNCTIONALIZED WITH PHOTOCHEMICAL GROUPS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-17 EP disclosed
WO-1995001219-A1 INTERFACIAL POLYMERIZATION IN A POROUS SUBSTRATE AND SUBSTRATES FUNCTIONALIZED WITH PHOTOCHEMICAL GROUPS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-12 WO disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed
US-4171976-A Homopolymerization inhibition of photographic hardeners EASTMAN KODAK COMPANY (US) 1979-10-23 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM TSHR 4013/4885CA1 737/4885CA2 914/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 TSHR 4711/4885CA1 4741/4885CA2 4843/4885

“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.