SCHEMBL16452452

SCHEMBL16452452

COC(=O)c1nn(-c2ccccc2C(C)C)c(-c2nnc(-c3cccc(C)c3)s2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 3/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 2/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 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
SCHEMBL16452629 0.91 ALDH1A1 (0.40) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16452680 0.90 ALDH1A1 (0.38) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16452454 0.90 ALDH1A1 (0.41) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16452486 0.89 RXRA (0.42) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16452541 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16452545 0.88 ALDH1A1 (0.39) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16455642 0.88 NR1H2 (0.47) PTGS1PTGS2
SCHEMBL16452459 0.84 HPGD (0.41) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL16452488 0.82 RXRA (0.44) ALDH1A1LMNAHPGDATMKDM4E
SCHEMBL16455646 0.81 NR1H2 (0.42) ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20150045399-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA ALDH1A1 1118/4885LMNA 592/4885HPGD 355/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA ALDH1A1 1166/4885LMNA 467/4885HPGD 457/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA ALDH1A1 1118/4885LMNA 592/4885HPGD 355/4885

“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.