SCHEMBL8615319

SCHEMBL8615319

Cc1nc(C)c(C(=O)C(C)(C)C)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.43
MAPT P10636 8/20 0.43
POLB P06746 5/20 0.43
USP2 O75604 4/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 9/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL8614787 0.80 FBP1 (0.33) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL286999 0.78 HSD17B10 (0.47) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL27432878 0.78 HSD17B10 (0.47) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL210291 0.76 HSD17B10 (0.50) HSD17B10MAPTPOLBUSP2HTT
Hydrochloric Acid SCHEMBL10496189 0.76 HSD17B10 (0.46) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL8613502 0.75 ALDH1A1 (0.43) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL114334 0.74 MAPT (0.44) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL540823 0.74 ALDH1A1 (0.45) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL18574305 0.73 ALDH1A1 (0.42) HSD17B10MAPTPOLBUSP2HTT
SCHEMBL6122310 0.73 ALDH1A1 (0.42) HSD17B10MAPTPOLBUSP2HTT

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 9 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
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 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 (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 HSD17B10 561/4885MAPT 2813/4885POLB 4626/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 HSD17B10 3260/4885MAPT 4456/4885POLB 4812/4885

“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.