SCHEMBL4054909

SCHEMBL4054909

CC(C)C(c1ccc(NC(=O)Nc2ccccn2)cc1)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CYP17A1 P05093 1/20 0.54
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
PIM1 P11309 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
FLT3 P36888 1/20 0.53
PIM3 Q86V86 1/20 0.53
AURKB Q96GD4 1/20 0.53
CYP26A1 O43174 4/20 0.50
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4056245 0.82 CYP17A1 (0.53) CYP17A1RAB9ANPC1SMN1; SMN2CYP26A1
SCHEMBL4046337 0.80 CYP17A1 (0.58) CYP17A1RAB9ACYP26A1CYP11B1CYP11B2
SCHEMBL4056699 0.78 CYP17A1 (0.57) CYP17A1CYP26A1CYP11B1CYP11B2KDM4E
SCHEMBL30946844 0.76 NPC1 (0.54) LMNARAB9ANPC1SMN1; SMN2ADORA3
SCHEMBL5851699 0.75 RAB9A (0.77) LMNARAB9ANPC1SMN1; SMN2ADORA3
SCHEMBL30418675 0.75 RAB9A (0.77) LMNARAB9ANPC1SMN1; SMN2ADORA3
SCHEMBL6862688 0.75 EGFR (0.61) CYP17A1RAB9ANPC1CYP26A1CYP11B1
SCHEMBL5565561 0.75 EGFR (0.61) CYP17A1RAB9ANPC1CYP26A1CYP11B1
SCHEMBL4047302 0.74 EPHX1 (0.56) LMNACYP17A1RAB9ANPC1CYP26A1
SCHEMBL1262179 0.74 CYP17A1 (0.55) CYP17A1RAB9ANPC1SMN1; SMN2CYP26A1

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
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-6319939-B1 P-(HETEROCYCLIC METHYL)-SUBSTUTED ANILIDES ARE POTENT INHIBITORS OF THE RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 2001-11-20 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-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG LMNA 1615/4885CYP17A1 304/4885RAB9A 2910/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG LMNA 1674/4885CYP17A1 317/4885RAB9A 2973/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG LMNA 1615/4885CYP17A1 304/4885RAB9A 2910/4885

“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.