SCHEMBL1492645

SCHEMBL1492645

Cc1ccc(C)c(-n2c[c]cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.36
HCAR1 Q9BXC0 1/20 0.35
PAX2 Q02962 1/20 0.34
TSHR P16473 3/20 0.33
HTT P42858 3/20 0.33
MPI P34949 2/20 0.33
PHOSPHO1 Q8TCT1 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PMM2 O15305 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
MEN1 O00255 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL2752517 0.85 NPSR1 (0.41) ALDH1A1MAPTHCAR1HTTTDP1
SCHEMBL7228707 0.79 BCHE (0.41) HTTLMNANPBWR1
SCHEMBL5659872 0.77 ADRB1 (0.40) ALDH1A1MAPTTSHRKMT2ATDP1
SCHEMBL671068 0.72 NOTUM (0.44) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL2751393 0.72 NOTUM (0.42) HSD17B10ALDH1A1MAPTHCAR1HTT
SCHEMBL16727179 0.70 ALDH1A1 (0.48) HSD17B10ALDH1A1MAPTKMT2ALMNA
SCHEMBL1492667 0.70 ADRB1 (0.43) ALDH1A1KMT2ATDP1MEN1CA12
SCHEMBL2752461 0.70 ADRB1 (0.43) ALDH1A1MAPTHCAR1TSHRHTT
SCHEMBL20201227 0.70 HSD17B10 (0.42) HSD17B10ALDH1A1MAPTHCAR1PAX2
SCHEMBL2752313 0.69 HSD17B10 (0.41) HSD17B10ALDH1A1MAPTHCAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP claimed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO claimed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 HSD17B10 4561/4885ALDH1A1 1588/4885MAPT 3912/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HSD17B10 4236/4885ALDH1A1 2607/4885MAPT 3435/4885

“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.