SCHEMBL16455474

SCHEMBL16455474

CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.46
RXRA P19793 5/20 0.46
NR1H3 Q13133 5/20 0.46
PDE4B Q07343 3/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16455632 0.92 NR1H2 (0.44) NR1H2RXRANR1H3PDE4BALDH1A1
SCHEMBL16455489 0.91 RXRA (0.44) NR1H2RXRANR1H3ALDH1A1NPC1
SCHEMBL16455383 0.91 RXRA (0.53) NR1H2RXRANR1H3ALDH1A1NPC1
SCHEMBL16455244 0.90 NR1H2 (0.42) NR1H2RXRANR1H3ALDH1A1NPC1
SCHEMBL16455390 0.90 NR1H2 (0.44) NR1H2RXRANR1H3ALDH1A1NPC1
SCHEMBL16452444 0.89 PDE4B (0.45) PDE4BALDH1A1NPC1MAPTRAB9A
SCHEMBL20726055 0.88 NR1H2 (0.38) NR1H2RXRANR1H3ALDH1A1NPC1
SCHEMBL16455382 0.88 RXRA (0.47) NR1H2RXRANR1H3ALDH1A1NPC1
SCHEMBL15242929 0.87 NR1H2 (0.46) NR1H2RXRANR1H3PDE4BALDH1A1
SCHEMBL16455609 0.87 NR1H2 (0.46) NR1H2RXRANR1H3PDE4BALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS RALEXAR THERAPEUTICS, INC. 2021-04-08 US disclosed
EP-3441390-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS Ralexar Therapeutics, Inc. (US) 2019-02-13 EP disclosed
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. 2017-11-23 US disclosed
US-9637481-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions RALEXAR THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS RALEXAR THERAPEUTICS, INC. 2015-06-04 US disclosed
US-8987318-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions ALEXAR THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20150045399-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. (US) 2015-02-12 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-20150045399-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885RXRA 3/4885NR1H3 2/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885RXRA 3/4885NR1H3 2/4885
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRG NR1H2 1/4885RXRA 4/4885NR1H3 2/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA NR1H2 1/4885RXRA 3/4885NR1H3 2/4885

“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.