SCHEMBL20043415

SCHEMBL20043415

COC(=O)c1cc(OC(F)F)c2nc(Br)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TNF P01375 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
MCL1 Q07820 2/20 0.42
NOD1 Q9Y239 2/20 0.42
NOD2 Q9HC29 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NR2F2 P24468 1/20 0.42
KLF5 Q13887 1/20 0.42
PDE4B Q07343 3/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL29010753 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL21062982 0.88 NPC1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL20043413 0.86 CYP2C9 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL20031462 0.85 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL19899880 0.82 NOTUM (0.42) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL20833630 0.81 NPC1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL19900083 0.81 KMT2A (0.42) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL2275524 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL29163110 0.79 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1TNF
SCHEMBL29163112 0.79 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1TNF

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-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 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 (1 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-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 SMN1; SMN2 4455/4885MEN1 4358/4885KMT2A 4512/4885

“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.