SCHEMBL4050320

SCHEMBL4050320

CCC(CC)C(c1ccc(NC(=O)CN2CCN(C)CC2)cc1)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP26A1 O43174 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.43
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4047735 0.82 CYP26A1 (0.51) KMT2AMEN1LMNASMN1; SMN2CYP26A1
SCHEMBL4050413 0.81 CYP26A1 (0.53) KMT2AMEN1LMNASMN1; SMN2CYP26A1
SCHEMBL4049465 0.73 CYP26A1 (0.47) KMT2AMEN1SMN1; SMN2CYP26A1CYP3A4
SCHEMBL13621138 0.71 LMNA (0.61) ATMKMT2AMEN1LMNAGAA
SCHEMBL8288400 0.71 LMNA (0.68) ATMKMT2AMEN1LMNAGAA
SCHEMBL8251642 0.70 REV1 (0.70) ATMKMT2AMEN1LMNAGAA
SCHEMBL31559143 0.70 GAA (0.67) ATMKMT2AMEN1LMNAGAA
SCHEMBL31559145 0.70 GAA (0.67) ATMKMT2AMEN1LMNAGAA
SCHEMBL6205501 0.69 LMNA (0.62) ATMKMT2AMEN1LMNAGAA
SCHEMBL1353584 0.69 LMNA (0.61) ATMKMT2AMEN1LMNAGAA

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 9 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

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 ATM 4864/4885KMT2A 2932/4885MEN1 4443/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG ATM 4860/4885KMT2A 3958/4885MEN1 3649/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG ATM 4860/4885KMT2A 3811/4885MEN1 3705/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG ATM 4860/4885KMT2A 3958/4885MEN1 3649/4885

“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.