SCHEMBL5100484

SCHEMBL5100484

CSC[C@H](NC(=O)c1ccc(C(=O)N2CC=CC2)c(C)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
ALOX12 P18054 1/20 0.43
APOBEC3A P31941 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
FPR1 P21462 7/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
APLNR P35414 2/20 0.36
GAA P10253 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
SCHEMBL6532676 0.92 KMT2A (0.39) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL2999496 0.92 KMT2A (0.39) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL2993265 0.90 APLNR (0.44) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL5100266 0.89 KMT2A (0.41) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL2999425 0.89 OPRM1 (0.38) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL2999422 0.89 OPRM1 (0.38) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL5100467 0.88 HTT (0.51) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL14177471 0.87 OPRM1 (0.37) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL14177470 0.87 OPRM1 (0.37) KMT2AALDH1A1MEN1ALOX12APOBEC3A
SCHEMBL5096621 0.87 L3MBTL1 (0.45) ALDH1A1MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
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-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-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
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
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
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 (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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 KMT2A 3087/4885ALDH1A1 328/4885MEN1 1667/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 KMT2A 3716/4885ALDH1A1 143/4885MEN1 1638/4885

“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.