SCHEMBL7639939

SCHEMBL7639939

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 4/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TNKS O95271 1/20 0.59
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CSNK2A2 P19784 3/20 0.51
CSNK2B P67870 3/20 0.51
CSNK2A1 P68400 3/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
APP P05067 1/20 0.44
RXFP1 Q9HBX9 2/20 0.42
MEN1 O00255 3/20 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
Hydrochloric Acid SCHEMBL926011 0.99 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7653310 0.82 CSNK2A2 (0.63) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7644822 0.81 MAPT (0.62) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL926335 0.81 GABRP (0.63) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7639120 0.80 PLA2G2A (0.59) NPC1RAB9ASMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL926190 0.80 MAPT (0.61) NPC1RAB9ASMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL928083 0.79 PLA2G2A (0.58) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7637766 0.79 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL926266 0.77 MAPT (0.64) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL926698 0.77 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTHPGD

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 6 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
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
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
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 1975/4885SMN1; SMN2 3347/4885

“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.