SCHEMBL20047542

SCHEMBL20047542

CC(C)c1cccc2ncc(C(C)(C)C)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL20043225 0.78 CA2 (0.36) CCR4KDM4ECYP1A2TSHRGABRA1
SCHEMBL10199380 0.78 LMNA (0.38) LMNAELANEKDM4ECYP1A2CYP3A4
SCHEMBL21976569 0.78 P2RX3 (0.42) LMNAELANEKDM4ECYP1A2CYP3A4
SCHEMBL10262921 0.78 LMNA (0.41) LMNAELANEKDM4ECYP1A2CYP3A4
SCHEMBL20047456 0.75 CCR4 (0.40) CCR4LMNAKDM4ECYP1A2CYP3A4
SCHEMBL23502488 0.74 KDM4E (0.36) KDM4ECYP1A2KDM1AGAAMAPT
SCHEMBL25037990 0.73 MET (0.52) LMNAKDM4EKDM1AATMMAPT
SCHEMBL820776 0.71 PDE10A (0.47) KDM4ECYP1A2HPGDALDH1A1HSD17B10
SCHEMBL20047599 0.70 CCR4 (0.39) CCR4LMNAELANEKDM4ECYP1A2
SCHEMBL12338365 0.70 MAPT (0.48) LMNAELANEKDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CCR4 1960/4885LMNA 3944/4885ELANE 1595/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CCR4 1960/4885LMNA 3944/4885ELANE 1595/4885

“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.