SCHEMBL5012000

SCHEMBL5012000

Cc1cc(Nc2cc(F)ccc2C(=O)O)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 3/20 0.55
MAPK3 P27361 1/20 0.55
CLCN2 P51788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4C Q9H3R0 3/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FTO Q9C0B1 1/20 0.38
P2RX7 Q99572 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL27617932 0.94 MAPK1 (0.56) HTTKDM4EMAPK1MAPK3CLCN2
SCHEMBL11707284 0.86 CLCN2 (0.47) HTTKDM4EMAPK1MAPK3CLCN2
SCHEMBL11706158 0.84 MEN1 (0.53) KDM4ESMN1; SMN2GFERALDH1A1MAPT
SCHEMBL5253749 0.82 GFER (0.61) CLCN2SMN1; SMN2GFERALDH1A1LMNA
SCHEMBL11711434 0.82 MEN1 (0.46) HTTKDM4EMAPK1MAPK3SMN1; SMN2
SCHEMBL27617931 0.81 MAPK1 (0.53) HTTKDM4EMAPK1MAPK3CLCN2
SCHEMBL11709383 0.81 SMN1; SMN2 (0.49) HTTKDM4EMAPK1MAPK3SMN1; SMN2
SCHEMBL5010651 0.80 SMN1; SMN2 (0.53) CLCN2SMN1; SMN2GFERMAPTKMT2A
SCHEMBL27728860 0.80 HTT (0.57) HTTKDM4EMAPK1MAPK3SMN1; SMN2
Hydrochloric Acid SCHEMBL27729053 0.79 HTT (0.56) HTTKDM4EMAPK1MAPK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 HTT 1948/4885KDM4E 3005/4885MAPK1 1942/4885

“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.