SCHEMBL20047578

SCHEMBL20047578

COc1nc2cc(C(C)C)ccc2nc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
SCN4A P35499 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NQO2 P16083 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
TYR P14679 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 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
SCHEMBL16639675 0.84 NPC1 (0.46) RAB9ASMN1; SMN2NPC1SCN4AALDH1A1
SCHEMBL21097528 0.83 NQO2 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL18684816 0.82 KDM4E (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL8024194 0.80 NQO2 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL23502476 0.80 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2NPC1SCN4AALDH1A1
SCHEMBL20047691 0.80 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2NPC1SCN4AALDH1A1
SCHEMBL805000 0.78 KDM4E (0.46) RAB9AKDM4ESCN10A
SCHEMBL12938128 0.78 NPC1 (0.50) RAB9ASMN1; SMN2NPC1SCN4AALDH1A1
SCHEMBL2706284 0.78 NPC1 (0.50) RAB9ASMN1; SMN2NPC1SCN4AALDH1A1
SCHEMBL22672508 0.77 TDP1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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 4 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
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
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 (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 RAB9A 2692/4885SMN1; SMN2 4455/4885NPC1 52/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 RAB9A 2692/4885SMN1; SMN2 4455/4885NPC1 52/4885

“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.