SCHEMBL13814616

SCHEMBL13814616

O=c1[nH]c(=O)c2cc(F)c(I)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PARP1 P09874 2/20 0.41
XDH P47989 3/20 0.37
MPO P05164 1/20 0.37
DPYD Q12882 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE7A Q13946 1/20 0.35

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
SCHEMBL3426314 0.88 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL29909816 0.78 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL29909400 0.78 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL8137325 0.78 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL2731858 0.78 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL25201307 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL30504341 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL13804376 0.78 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL25365592 0.75 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL5545956 0.74 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCA12

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-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-06-18 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-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885ALDH1A1 712/4885SMN1; SMN2 2387/4885

“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.