SCHEMBL925374

SCHEMBL925374

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
CASP1 P29466 1/20 0.51
HTT P42858 1/20 0.51
CASP7 P55210 1/20 0.51
CYP1A2 P05177 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAOB P27338 1/20 0.45
PRKCZ Q05513 1/20 0.43
TNKS O95271 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 SCHEMBL925806 0.99 NPC1 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL925244 0.83 NPC1 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL926792 0.83 HSD17B10 (0.48) MEN1KMT2AKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL925411 0.80 KDM4E (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL926830 0.79 PPARG (0.46) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL927299 0.78 PPARG (0.48) NPC1MEN1KMT2AKDM4EMAPT
SCHEMBL925722 0.77 MAPT (0.72) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7996627 0.75 CYP19A1 (0.47) MEN1KMT2AKDM4EMAPTABCG2
SCHEMBL29167450 0.73 KDM4E (0.56) RAB9AMEN1KMT2AKDM4EMAPT
SCHEMBL925779 0.73 MAPT (0.59) MEN1KMT2AKDM4EMAPTTP53

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 1975/4885MEN1 3571/4885

“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.