SCHEMBL5028569

SCHEMBL5028569

Cc1occc1C(=O)Nc1ccc(Cl)c(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.60
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
PKM P14618 4/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 6/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TP53 P04637 4/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 2/20 0.54
STAT1 P42224 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
SCHEMBL5029316 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL13996754 0.86 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL5031010 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL5028356 0.81 NPC1 (0.55) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL27522241 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL8359829 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL13996755 0.78 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL9205677 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL23370810 0.78 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL8359548 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APKMPOLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20060128692-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC (US) 2006-06-15 US disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
EP-1620445-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
EP-1575486-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-09-21 EP disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1501841-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2005-02-02 EP disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
EP-1220848-B1 N-ARYMETHYLTHIOANILIDE COMPOUNDS USEFUL FOR THE INHIBITION OF THE REPLICATION OF HIV UNIROYAL CHEM CO INC (US) 2003-11-19 EP disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-1220848-A2 N-ARYMETHYLTHIOANILIDE COMPOUNDS USEFUL FOR THE INHIBITION OF THE REPLICATION OF HIV Uniroyal Chemical Company, Inc. (US) 2002-07-10 EP disclosed
WO-2001019811-A2 N-ARYMETHYLTHIOANILIDE COMPOUNDS USEFUL FOR THE INHIBITION OF THE REPLICATION OF HIV UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-03-22 WO disclosed
US-6143780-A COMPOUNDS FOR TREATMENT OF AIDS CONTAINING FURAN OR THIOPHENE GROUPS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-11-07 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 (3 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-20060128692-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA SMN1; SMN2 2496/4885NPC1 2871/4885RAB9A 3659/4885
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SMN1; SMN2 4578/4885NPC1 1367/4885RAB9A 2372/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SMN1; SMN2 4578/4885NPC1 1367/4885RAB9A 2372/4885

“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.