SCHEMBL5100951

SCHEMBL5100951

O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCCCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MLLT1 Q03111 2/20 0.44
HPGD P15428 3/20 0.43
MAPK10 P53779 5/20 0.42
TSHR P16473 2/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 1/20 0.42
MEN1 O00255 1/20 0.41
PRSS12 P56730 1/20 0.41

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
SCHEMBL5100948 1.00 POLB (0.52) POLBSMN1; SMN2KMT2AHRH4HRH3
SCHEMBL5111026 0.99 POLB (0.53) POLBSMN1; SMN2KMT2AHRH4HRH3
SCHEMBL5100662 0.97 POLB (0.51) POLBSMN1; SMN2KMT2AHRH4HRH3
SCHEMBL14177336 0.91 KDM4E (0.48) POLBSMN1; SMN2KMT2AMAPK10TSHR
SCHEMBL5100941 0.91 POLB (0.49) POLBSMN1; SMN2KMT2AHRH4HRH3
SCHEMBL5110474 0.91 POLB (0.47) POLBSMN1; SMN2KMT2AHPGDMAPK10
SCHEMBL5100949 0.91 POLB (0.50) POLBSMN1; SMN2KMT2AHRH4HRH3
SCHEMBL5103660 0.90 POLB (0.46) POLBSMN1; SMN2KMT2AMAPK10TSHR
SCHEMBL5096999 0.90 POLB (0.47) POLBSMN1; SMN2KMT2AMAPK10TSHR
SCHEMBL5103541 0.89 POLB (0.46) POLBSMN1; SMN2KMT2AMLLT1HPGD

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 5 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
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 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 POLB 1780/4885SMN1; SMN2 3130/4885KMT2A 3087/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 POLB 2283/4885SMN1; SMN2 2703/4885KMT2A 3716/4885

“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.