SCHEMBL5111248

SCHEMBL5111248

Cc1cc(C(=O)N[C@H](c2nc3cc(Cl)ccc3[nH]2)C(C)(C)C)ccc1C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
APOBEC3A P31941 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
F10 P00742 3/20 0.38
PTGS2 P35354 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 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
SCHEMBL8334619 0.93 HRH4 (0.40) HRH4HRH3MEN1KMT2AGAA
SCHEMBL5103651 0.92 HRH4 (0.39) HRH4HRH3MEN1KMT2AGAA
SCHEMBL8324182 0.89 KMT2A (0.49) HRH4HRH3MEN1KMT2AGAA
SCHEMBL5100785 0.89 KMT2A (0.49) HRH4HRH3MEN1KMT2AGAA
SCHEMBL5099630 0.89 TDP1 (0.47) HRH4HRH3MEN1KMT2AGAA
SCHEMBL2990956 0.89 TDP1 (0.47) HRH4HRH3MEN1KMT2AGAA
SCHEMBL2990960 0.89 TDP1 (0.47) HRH4HRH3MEN1KMT2AGAA
SCHEMBL5110832 0.86 KMT2A (0.43) HRH4HRH3MEN1KMT2AGAA
SCHEMBL5103713 0.86 S1PR3 (0.49) HRH4HRH3S1PR1S1PR3CNR1
SCHEMBL5100644 0.86 KMT2A (0.44) HRH4HRH3MEN1KMT2AALDH1A1

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 HRH4 589/4885HRH3 190/4885MEN1 1667/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 HRH4 922/4885HRH3 648/4885MEN1 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.