SCHEMBL572437

SCHEMBL572437

O=C(OC(=O)C1[C@H]2CC[C@H](C2)[C@H]1C(=O)O)C1[C@H]2CC[C@H](C2)[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 10/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 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
SCHEMBL264307 1.00 LMNA (0.44) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL1663724 0.90 LMNA (0.39) LMNAALDH1A1KMT2AMAPTTSHR
SCHEMBL23064871 0.90 LMNA (0.39) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL14433686 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL1004125 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL3031493 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL187221 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL23176525 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL3045980 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1
SCHEMBL23698034 0.87 LMNA (0.52) LMNAALDH1A1KMT2AMAPTTAAR1

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-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 US disclosed
US-20130303497-A1 DEUTERATED 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2013-11-14 US disclosed
EP-2601187-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS Conrig Pharma ApS (DK) 2013-06-12 EP disclosed
WO-2012016569-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2012-02-09 WO 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-20130303497-A1 DEUTERATED 5-HT1A RECEPTOR AGONISTS HTR1A, HTR1D, HTR5A LMNA 3435/4885ALDH1A1 620/4885KMT2A 3290/4885
US-10597390-B2 Indoles for use in influenza virus infection IDO1, IDO2, INMT LMNA 3745/4885ALDH1A1 143/4885KMT2A 618/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT LMNA 3745/4885ALDH1A1 143/4885KMT2A 618/4885

“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.