SCHEMBL4174128

SCHEMBL4174128

CC(C)C(C(=O)NC(CN)Cc1ccccc1)N1C=CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
ABCB1 P08183 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35

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
SCHEMBL4175256 0.85 MME (0.46)
SCHEMBL4174124 0.79 CYP3A4 (0.60) CYP3A4MAPK1ABCC3ABCC4ABCB11
SCHEMBL5385947 0.68 CYP3A4 (0.59) CYP3A4MAPK1ABCC3ABCC4ABCB11
SCHEMBL13915801 0.68 CYP3A4 (0.59) CYP3A4MAPK1ABCC3ABCC4ABCB11
SCHEMBL13907805 0.68 CYP3A4 (0.59) CYP3A4MAPK1ABCC3ABCC4ABCB11
SCHEMBL5568036 0.67 CTRB1 (0.57) CYP3A4MAPK1NPC1RAB9ACTRB1
SCHEMBL12294556 0.67 CTRB1 (0.57) CYP3A4MAPK1NPC1RAB9ACTRB1
SCHEMBL14320632 0.67 CTRB1 (0.50) CYP3A4MAPK1NPC1RAB9ACTRB1
SCHEMBL3730596 0.67 CTRB1 (0.50) CYP3A4MAPK1NPC1RAB9ACTRB1
SCHEMBL2552762 0.67 CTRB1 (0.50) CYP3A4MAPK1NPC1RAB9ACTRB1

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-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS VALDEZ JOHNNY 2009-03-12 US disclosed
EP-1700122-A4 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS INC (US) 2008-05-21 EP disclosed
EP-1700122-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2006-09-13 EP disclosed
US-20050244816-A1 Immunoassays, haptens, immunogens and antibodies for anti-HIV therapeutics ARK DIAGNOSTICS, INC. (US) 2005-11-03 US disclosed
WO-2005062979-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2005-07-14 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-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS CD4, MPI, ME1 CYP3A4 70/4885MAPK1 1821/4885ABCC3 1265/4885
US-20050244816-A1 Immunoassays, haptens, immunogens and antibodies for anti-HIV therapeutics CD4, MPI, ME1 CYP3A4 70/4885MAPK1 1821/4885ABCC3 1265/4885

“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.