SCHEMBL5100266

SCHEMBL5100266

Cc1cc(C(=O)N[C@@H](CCN)c2nc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
APOBEC3A P31941 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
FPR1 P21462 2/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
PADI2 Q9Y2J8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
APLNR P35414 5/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
DYRK1A Q13627 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
SCHEMBL2993265 0.93 APLNR (0.44) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5103466 0.92 KMT2A (0.46) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5110653 0.92 KMT2A (0.46) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL2999496 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL6532676 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5100484 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL2999425 0.89 OPRM1 (0.38) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL2999422 0.89 OPRM1 (0.38) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL2997474 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1ALOX12APOBEC3A
SCHEMBL5099413 0.87 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 2 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

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 KMT2A 3087/4885MEN1 1667/4885ALDH1A1 328/4885

“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.