SCHEMBL9899689

SCHEMBL9899689

N#Cc1c(F)ccc([N+](=O)[O-])c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 1/20 0.41
VCAM1 P19320 4/20 0.40
RAB9A P51151 1/20 0.38
CASP6 P55212 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
CUL4A Q13619 1/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1361699 0.82 TDP1 (0.44) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2001345 0.79 VCAM1 (0.51) TDP1ALDH1A1VCAM1RAB9ATSHR
SCHEMBL26928091 0.79 TDP1 (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1749233 0.79 VCAM1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL9016834 0.79 TDP1 (0.44) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7550938 0.76 VCAM1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2416493 0.76 ATM (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL938956 0.76 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1850626 0.75 ALDH1A1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1462237 0.75 TRPV4 (0.39) ALDH1A1HPGDMAPTCUL4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4536642-A1 HETEROCYCLIC COMPOUNDS AS PI3KA INHIBITORS Synnovation Therapeutics, Inc. (US) 2025-04-16 EP disclosed
WO-2023239846-A1 HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023239846-A1 HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES TDP1 1871/4885ATM 4243/4885ALDH1A1 140/4885

“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.