SCHEMBL146709

SCHEMBL146709

O=[N+]([O-])c1c[c]c(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HIF1A Q16665 1/20 0.44
HSPB1 P04792 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL5249648 0.78
SCHEMBL18603 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL193215 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10ACHELMNAPOLB
SCHEMBL2906487 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL218653 0.74 HSD17B10 (0.52) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL973063 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10ACHECES1TSHR
SCHEMBL3885956 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHELMNATSHR
SCHEMBL193032 0.74 HSD17B10 (0.47) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL27762447 0.74 CA1 (0.40) ALDH1A1HIF1AHSPB1HSD17B10ACHE
SCHEMBL8715421 0.72 ALDH1A1 (0.40) ALDH1A1HSPB1HSD17B10ACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069727-A Imidazo [1,2-c ] pyrimidine compound, and preparation method and application thereof 郑州大学 2023-11-17 CN claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US claimed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
EP-1492487-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP claimed
US-20050119484-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US claimed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-1492487-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-01-05 EP claimed
WO-2003079973-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-10-02 WO claimed

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-20050119484-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF23 ALDH1A1 2547/4885HIF1A 3682/4885HSPB1 1245/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 502/4885HIF1A 54/4885HSPB1 3572/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885HIF1A 3857/4885HSPB1 1935/4885
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 ALDH1A1 719/4885HIF1A 348/4885HSPB1 3819/4885

“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.