SCHEMBL3072736

SCHEMBL3072736

O=C(O)c1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
TSHR P16473 2/20 0.51
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GPR35 Q9HC97 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL940162 1.00 ALB (0.55) ALBTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL1497989 0.86 TSHR (0.60) TSHRMAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL14854036 0.85 MAPT (0.45) ALBTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL9849650 0.85 ALDH1A1 (0.55) ALBTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL4694814 0.85 RAB9A (0.43) ALBTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL27510794 0.84 MAPT (0.50) TSHRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6998574 0.84 MAPT (0.43) ALBTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL30490414 0.84 TSHR (0.58) TSHRMAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL27771692 0.84 TSHR (0.58) TSHRMAPTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL28171346 0.84 TSHR (0.58) TSHRMAPTSMN1; SMN2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-5543550-A NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-06 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 ALB 4706/4885TSHR 4185/4885MAPT 3017/4885

“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.