SCHEMBL5100644

SCHEMBL5100644

CC[C@H](NC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
APOBEC3A P31941 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
F10 P00742 2/20 0.39
PPARG P37231 2/20 0.39
APLNR P35414 5/20 0.38
FPR1 P21462 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 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
SCHEMBL3001491 0.93 KMT2A (0.46) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL3003697 0.93 KMT2A (0.44) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5101559 0.93 HRH4 (0.41) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5104117 0.93 KMT2A (0.44) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5097584 0.92 KMT2A (0.43) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5104153 0.92 KMT2A (0.43) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5103895 0.92 KMT2A (0.43) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5104020 0.92 KMT2A (0.46) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL2992896 0.92 MEN1 (0.43) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5097255 0.91 MEN1 (0.45) KMT2AMEN1ALDH1A1ALOX12APOBEC3A

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
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

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 3087/4885MEN1 1667/4885ALDH1A1 328/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 KMT2A 3716/4885MEN1 1638/4885ALDH1A1 143/4885

“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.