SCHEMBL925244

SCHEMBL925244

CC(=O)Nc1ccc2oc(-c3ccc4c(c3)OCO4)c(OCc3ccccc3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KMT2A Q03164 4/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.44
GAA P10253 1/20 0.43
FYN P06241 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 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
SCHEMBL925271 0.86 KDM4E (0.47) KMT2AKDM4EALDH1A1ABCG2GAA
SCHEMBL926613 0.84 KDM4E (0.57) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL925374 0.83 NPC1 (0.51) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL926258 0.82 CYP19A1 (0.47) TP53MAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL925806 0.82 NPC1 (0.50) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL926117 0.80 MAPT (0.64) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL3703832 0.78 CYP11B1 (0.47) KDM4EALDH1A1ABCG2
SCHEMBL5126203 0.77 MAPT (0.56) KMT2ATP53MAPTMEN1KDM4E
SCHEMBL1082928 0.77 MAPT (0.53) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL928086 0.76 KDM4E (0.54) NPC1RAB9AMAPTKDM4EALDH1A1

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 4142/4885RAB9A 1975/4885KMT2A 1600/4885

“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.