SCHEMBL5110077

SCHEMBL5110077

C[C@H](N)c1nc2cc(O)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN10A Q9Y5Y9 6/20 0.42
PARP1 P09874 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PLAU P00749 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
IDO1 P14902 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MLKL Q8NB16 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL24076512 0.86 HSD17B10 (0.57) KDM4ELMNAHSD17B10SCN10ATAAR1
SCHEMBL4573758 0.81 CYP1A2 (0.53) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL580393 0.80 LMNA (0.42) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL1479636 0.80 LMNA (0.42) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL8071556 0.80 ALPL (0.49) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL8071559 0.80 ALPL (0.49) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL4154842 0.80 CSNK2A1 (0.45) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL6471271 0.80 ALPL (0.49) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL5101171 0.80 CSNK2A1 (0.45) KDM4ELMNAHSD17B10SCN10APARP1
SCHEMBL5104456 0.80 LMNA (0.42) KDM4ELMNAHSD17B10SCN10APARP1

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 KDM4E 3826/4885LMNA 2898/4885HSD17B10 849/4885

“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.