SCHEMBL1563575

SCHEMBL1563575

Cc1ccc(NC(=O)CCl)c(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
HTT P42858 1/20 0.71
KMT2A Q03164 5/20 0.64
HPGD P15428 4/20 0.64
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.64
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
MEN1 O00255 3/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL22864669 0.84 KMT2A (0.74) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL28712354 0.83 KMT2A (0.73) ALDH1A1SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL4228749 0.83 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL10603799 0.83 NPC1 (0.57) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL30613082 0.83 NPC1 (0.57) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL29643255 0.83 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL25358934 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL7264600 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HTTKMT2AHPGD
SCHEMBL6572962 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HTTKMT2AGAA
SCHEMBL1703978 0.80 RAB9A (0.68) ALDH1A1SMN1; SMN2KMT2AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 EP disclosed
EP-1545483-A4 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2009-03-25 EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 EP disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT ALDH1A1 271/4885SMN1; SMN2 1681/4885HTT 2326/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT ALDH1A1 271/4885SMN1; SMN2 1681/4885HTT 2326/4885

“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.