SCHEMBL20764013

SCHEMBL20764013

Nc1cccc(-c2ccc(C(=O)Nc3ccccc3)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
PPARG P37231 1/20 0.78
NCOA2 Q15596 1/20 0.78
NCOA1 Q15788 1/20 0.78
NCOA3 Q9Y6Q9 1/20 0.78
ESRRG P62508 10/20 0.77
ESR1 P03372 5/20 0.77
ESR2 Q92731 3/20 0.77
HPGDS O60760 1/20 0.69
PTPN1 P18031 1/20 0.67
PTPN11 Q06124 1/20 0.67
MAPT P10636 4/20 0.66
TP53 P04637 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
RXFP1 Q9HBX9 2/20 0.66
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HDAC1 Q13547 1/20 0.57

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
SCHEMBL14849810 0.89 NPC1 (1.00) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764231 0.87 ESRRG (1.00) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764049 0.86 ESRRG (0.69) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL31337398 0.85 NPC1 (0.81) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764042 0.82 MAPT (0.79) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764219 0.82 ESRRG (0.78) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL6262954 0.81 HPGDS (0.69) NPC1RAB9AESRRGESR1ESR2
SCHEMBL23091161 0.81 MAPT (0.73) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764216 0.81 ESRRG (0.69) NPC1RAB9AESRRGESR1ESR2
SCHEMBL20764056 0.80 ESRRG (1.00) NPC1RAB9APPARGNCOA2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 US disclosed
US-20200247792-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-08-06 US disclosed
WO-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 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 (2 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-20200247792-A1 ERR INVERSE AGONISTS ESRRA, ESRRB, ESR2 NPC1 1405/4885RAB9A 1566/4885PPARG 25/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG NPC1 2390/4885RAB9A 3045/4885PPARG 76/4885

“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.