SCHEMBL6987299

SCHEMBL6987299

CCOC(=O)/C=C/c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 5/20 0.51
STAT3 P40763 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
ESR1 P03372 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL6987302 1.00 KMT2A (0.53) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL14508734 0.89 KMT2A (0.53) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL5579243 0.88 TTR (0.53) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL6809200 0.88 CYP1A2 (0.53) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL6639628 0.88 CYP1A2 (0.53) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL20671146 0.88 KMT2A (0.52) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL17980391 0.87 KMT2A (0.51) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL16971052 0.86 ALDH1A1 (0.50) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL31406407 0.86 ALDH1A1 (0.50) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL6980279 0.86 FDPS (0.51) KMT2APKMMEN1NPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073057-B1 NEW FYN AND VEGFR2 KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2023-11-29 EP disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 KMT2A 2350/4885PKM 4172/4885MEN1 4556/4885

“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.