SCHEMBL4055564

SCHEMBL4055564

Cn1ccnc1C(O)(c1ccc(N)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
CYP19A1 P11511 9/20 0.42
TSHR P16473 1/20 0.41
RORC P51449 1/20 0.41
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 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
SCHEMBL11534295 0.93 KMT2A (0.66) KMT2ACYP19A1TSHRRORCMEN1
SCHEMBL11531547 0.87 KMT2A (0.77) KMT2ACYP19A1RORCMEN1
SCHEMBL8243325 0.86 KMT2A (0.57) KMT2ACYP19A1TSHRRORCMEN1
SCHEMBL4046727 0.80 KMT2A (0.51) KMT2ACYP19A1RORCMEN1ALDH1A1
SCHEMBL4905689 0.79 KMT2A (0.53) KMT2ACYP19A1TSHRRORCMEN1
SCHEMBL4909571 0.75 KMT2A (0.48) KMT2ACYP19A1TSHRRORCMEN1
SCHEMBL5566622 0.71 KMT2A (0.44) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL4052433 0.71 RORC (0.55) RORC
SCHEMBL4904581 0.71 POLB (0.45) KMT2ATSHRRORCMEN1NPC1
SCHEMBL16474170 0.71 RORC (0.80) RORC

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 KMT2A 2932/4885CYP19A1 423/4885TSHR 282/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG KMT2A 3958/4885CYP19A1 274/4885TSHR 210/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG KMT2A 3811/4885CYP19A1 273/4885TSHR 230/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG KMT2A 3958/4885CYP19A1 274/4885TSHR 210/4885

“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.