SCHEMBL3299180

SCHEMBL3299180

Cc1cc(NC2(C)C=CC=CC2C(=O)O)n(-c2ccc(F)cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KCNJ6 P48051 3/20 0.35
KCNJ5 P48544 3/20 0.35
KCNJ3 P48549 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
NTRK1 P04629 2/20 0.34
KMT2A Q03164 3/20 0.34
NR3C2 P08235 1/20 0.34
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
DGAT1 O75907 1/20 0.32
MAPT P10636 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1816105 0.92 KDM4E (0.44) HTTKDM4EKCNJ6KCNJ5KCNJ3
SCHEMBL1814487 0.90 KDM4E (0.40) HTTKDM4EKCNJ6KCNJ5KCNJ3
SCHEMBL1814085 0.84 KCNJ6 (0.37) HTTKDM4EKCNJ6KCNJ5KCNJ3
SCHEMBL3299195 0.82 L3MBTL1 (0.34) NR3C2DGAT1HDAC9L3MBTL1
SCHEMBL3306636 0.82 KMT2A (0.36) HTTKDM4EKCNJ6KCNJ5KCNJ3
SCHEMBL3262815 0.81 NTRK1 (0.52) HTTKCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL3307842 0.81 LMNA (0.42) HTTKCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL1814784 0.74 OPRM1 (0.38) GAAL3MBTL1
SCHEMBL3303524 0.74 ADORA1 (0.51) NR3C2
SCHEMBL3308257 0.72 L3MBTL1 (0.34) L3MBTL1

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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT HTT 3044/4885KDM4E 2516/4885KCNJ6 2866/4885

“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.