SCHEMBL13153147

SCHEMBL13153147

CC(C)(C)Cc1cnn(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
HSD17B10 Q99714 2/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN2B Q13224 2/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL13153123 0.86 LMNA (0.60) KCNH2HSD17B10MAPTLMNAKDM4E
SCHEMBL13153113 0.85 L3MBTL1 (0.56) MAPTLMNAKMT2AL3MBTL1KLKB1
SCHEMBL13153131 0.85 MAPT (0.51) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL19090081 0.81 KCNH2 (0.55) KCNH2HSD17B10MAPTLMNAKDM4E
SCHEMBL3092486 0.80 KCNH2 (0.53) KCNH2HSD17B10MAPTLMNAKDM4E
SCHEMBL13153130 0.79 LMNA (0.44) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL13181126 0.79 KCNH2 (0.52) KCNH2HSD17B10MAPTLMNAKDM4E
SCHEMBL12221313 0.79 KCNH2 (0.49) KCNH2HSD17B10MAPTLMNAKDM4E
SCHEMBL3103391 0.78 NOTUM (0.54) KCNH2HSD17B10MAPTLMNAKDM4E
SCHEMBL15310228 0.78 HSD17B10 (0.49) KCNH2HSD17B10MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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 (2 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 KCNH2 1357/4885HSD17B10 561/4885MAPT 2813/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 KCNH2 3220/4885HSD17B10 3260/4885MAPT 4456/4885

“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.