SCHEMBL1816111

SCHEMBL1816111

Cc1cc(Nc2c(C)cccc2C(=O)O)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 2/20 0.42
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NTRK1 P04629 2/20 0.40
KCNJ6 P48051 2/20 0.39
KCNJ5 P48544 2/20 0.39
KCNJ3 P48549 2/20 0.39
FTO Q9C0B1 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1808088 0.93 KMT2A (0.48) KMT2AKDM4EHTTALDH1A1LMNA
SCHEMBL1814490 0.92 KMT2A (0.47) KMT2AKDM4EHTTALDH1A1LMNA
SCHEMBL1814089 0.87 MAPT (0.44) KMT2AKDM4EHTTALDH1A1LMNA
SCHEMBL1811819 0.84 KMT2A (0.46) KMT2AKDM4EHTTALDH1A1LMNA
SCHEMBL1815234 0.84 LMNA (0.50) KMT2AHTTALDH1A1LMNAGFER
SCHEMBL1810794 0.81 GFER (0.44) KMT2AHTTALDH1A1LMNAGFER
SCHEMBL1819141 0.81 GFER (0.58) KMT2AHTTALDH1A1LMNAGFER
SCHEMBL1814786 0.81 KDM4E (0.42) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL1816694 0.80 ALDH1A1 (0.47) KMT2AHTTALDH1A1LMNAGFER
SCHEMBL5310758 0.77 SMN1; SMN2 (0.46) KMT2AKDM4EHTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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 KMT2A 3072/4885KDM4E 2516/4885HTT 3044/4885

“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.