SCHEMBL4047496

SCHEMBL4047496

CC(=O)Nc1ccc(C(O)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 2/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
MB P02144 1/20 0.53
CYP1A1 P04798 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53
RARG P13631 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL14463078 0.84 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL19806131 0.82 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL4048000 0.82 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL104524 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL11112670 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL8528686 0.81 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL4986450 0.80 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL11989512 0.79 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL8643836 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL4579197 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1

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 14 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-20020115653-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2002-08-22 US 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
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 WO disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP 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 (4 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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG SMN1; SMN2 2646/4885L3MBTL1 2635/4885HTT 2464/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG SMN1; SMN2 3050/4885L3MBTL1 2107/4885HTT 2246/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG SMN1; SMN2 3061/4885L3MBTL1 1987/4885HTT 2206/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG SMN1; SMN2 3050/4885L3MBTL1 2107/4885HTT 2246/4885

“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.