SCHEMBL924443

SCHEMBL924443

O=C1CCCN1c1ccc[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 2/20 0.39
PARP1 P09874 3/20 0.38
HTR6 P50406 1/20 0.38
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DAO P14920 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL4785260 0.95 AURKA (0.40) HSD17B10AURKAAURKBINCENPALDH1A1
SCHEMBL21383788 0.82 SMN1; SMN2 (0.45) ALDH1A1HPGDTP53L3MBTL1
SCHEMBL10751956 0.79 ALDH1A1 (0.42) HSD17B10AURKAAURKBINCENPALDH1A1
SCHEMBL12478981 0.75 GFER (0.45) HSD17B10ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL9234686 0.74 MAPT (0.46) AURKAAURKBINCENPALDH1A1GFER
SCHEMBL7787664 0.73 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL28807259 0.73 MAPT (0.49) AURKAAURKBINCENPALDH1A1GFER
SCHEMBL22997585 0.71 HSD17B10 (0.44) HSD17B10ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL3770108 0.71 MEN1 (0.63) HSD17B10ALDH1A1TP53PARP1GFER
SCHEMBL1901693 0.71 DDB1 (0.56) HSD17B10HPGDCYP3A4CYP2C9AKR1C3

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
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HSD17B10 1966/4885AURKA 1397/4885AURKB 1230/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HSD17B10 1966/4885AURKA 1397/4885AURKB 1230/4885

“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.