SCHEMBL926698

SCHEMBL926698

Nc1ccc2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
MAPT P10636 5/20 0.70
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
HPGD P15428 3/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
TNKS O95271 1/20 0.70
EGFR P00533 2/20 0.68
SRC P12931 1/20 0.68
TP53 P04637 3/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
LCK P06239 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PLA2G2A P14555 2/20 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
SCHEMBL28837009 0.82 TNKS (1.00) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL30497860 0.82 TNKS (1.00) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL7639939 0.77 NPC1 (0.59) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL13904576 0.76 HPGD (0.70) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL925553 0.76 EGFR (0.82) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL17786600 0.76 EGFR (0.82) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL925722 0.76 MAPT (0.72) NPC1MAPTRAB9ASMN1; SMN2HPGD
6-Aminoflavone SCHEMBL926716 0.76 EGFR (0.82) NPC1MAPTRAB9ASMN1; SMN2HPGD
6-Aminoflavone SCHEMBL31550004 0.76 EGFR (0.82) NPC1MAPTRAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL926011 0.76 NPC1 (0.58) NPC1MAPTRAB9ASMN1; SMN2HPGD

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
US-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US disclosed
EP-2268628-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN Rottapharm S.p.A. (IT) 2011-01-05 EP disclosed
WO-2009109230-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2009-09-11 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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 NPC1 4142/4885MAPT 4791/4885RAB9A 1975/4885

“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.