SCHEMBL6834403

SCHEMBL6834403

O=C(O)c1ncc(-c2ccccc2F)o1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.61
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
SLC9A1 P19634 1/20 0.41
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL30301354 0.83 FAAH (0.54) FAAHPKMHPGDHTTRAB9A
SCHEMBL8139754 0.81 KMO (0.48) FAAHHPGDKDM4EHSD17B10SLC9A1
SCHEMBL19814651 0.80 KMO (0.47) FAAHHPGDKDM4EHSD17B10SLC9A1
SCHEMBL892926 0.78 TUBB4A (0.59) FAAHHPGDRAB9AKDM4ESMN1; SMN2
SCHEMBL25247852 0.77 FAAH (0.63) FAAHHPGDRAB9AKDM4ESMN1; SMN2
SCHEMBL12171394 0.77 RAB9A (0.56) FAAHPKMHPGDHTTRAB9A
SCHEMBL1471974 0.77 FAAH (1.00) FAAH
SCHEMBL4790263 0.76 TUBB4A (0.57) FAAHHPGDRAB9AKDM4ESMN1; SMN2
Lithium SCHEMBL30975782 0.76 DHODH (0.42) FAAHRAB9ANPC1GAA
SCHEMBL29268908 0.76 DHODH (0.42) FAAHRAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 FAAH 3547/4885PKM 2387/4885HPGD 578/4885

“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.