SCHEMBL1455001

SCHEMBL1455001

C[C](C)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.64
HSD17B10 Q99714 3/20 0.64
NAPRT Q6XQN6 1/20 0.64
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
TP53 P04637 2/20 0.55
EPHX1 P07099 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 4/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL14347597 0.82 TAS2R38 (0.64) TAS2R38HSD17B10NAPRTALDH1A1TSHR
SCHEMBL13381399 0.82 TAS2R38 (0.64) TAS2R38HSD17B10NAPRTALDH1A1TSHR
SCHEMBL14347590 0.82 TAS2R38 (0.64) TAS2R38HSD17B10NAPRTALDH1A1TSHR
SCHEMBL5347452 0.78 TAS2R38 (0.58) TAS2R38HSD17B10NAPRTALDH1A1TSHR
SCHEMBL20598228 0.78 TAS2R38 (0.58) TAS2R38HSD17B10NAPRTALDH1A1TSHR
Acetanilide SCHEMBL24681 0.78 NAPRT (1.00) HSD17B10NAPRTALDH1A1TSHRTP53
Acetanilide SCHEMBL16922180 0.78 NAPRT (1.00) HSD17B10NAPRTALDH1A1TSHRTP53
SCHEMBL19669626 0.78 NAPRT (1.00) HSD17B10NAPRTALDH1A1TSHRTP53
Acetanilide SCHEMBL3359084 0.78 NAPRT (1.00) HSD17B10NAPRTALDH1A1TSHRTP53
SCHEMBL16935736 0.78 TAS2R38 (0.58) TAS2R38HSD17B10NAPRTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed
EP-1768978-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-04 EP claimed
WO-2006005914-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 WO claimed
WO-2013067151-A1 TREATMENT METHODS USING DIARYLTHIOHYDANTOIN DERIVATIVES MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2013-05-10 WO disclosed
US-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 US disclosed
CN-1921847-B Amino alcohol compound SANKYO CO 2010-06-16 CN disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US disclosed
CN-1921847-A Amino alcohol compound SANKYO CO (JP) 2007-02-28 CN disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP disclosed
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 TAS2R38 3568/4885HSD17B10 516/4885NAPRT 1870/4885

“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.