SCHEMBL2875608

SCHEMBL2875608

COc1ccc(-c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.55
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 4/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDR P35968 2/20 0.48
CHEK1 O14757 1/20 0.48
POLB P06746 1/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
FLT3 P36888 2/20 0.46

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
SCHEMBL29048498 0.90 MAPT (0.55) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL225023 0.90 ALDH1A1 (0.47) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL6923954 0.85 KMT2A (0.53) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL7107605 0.81 KMT2A (0.56) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL32674566 0.81 KMT2A (0.56) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL2741701 0.79 CA2 (0.47) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL31053137 0.78 KDM4E (0.63) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL4881053 0.78 KDM4E (0.63) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL7049328 0.78 KDM4E (0.72) MAPTRAB9AKDM4ENPC1CASP3
SCHEMBL11650959 0.78 RAB9A (0.63) MAPTRAB9AKDM4ENPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322200-B Preparation method of spiro pyrroloquinoxaline derivative 五邑大学 2023-09-19 CN disclosed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY11, P2RY1, P2RY13 MAPT 1893/4885RAB9A 3132/4885KDM4E 4718/4885

“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.