SCHEMBL20031273

SCHEMBL20031273

Cc1ccc2c(C(=O)O)noc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
IP6K1 Q92551 2/20 0.39
IP6K3 Q96PC2 2/20 0.39
IP6K2 Q9UHH9 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL25412023 0.86 MAPT (0.60) MAPTSMN1; SMN2LMNATP53KDM4E
SCHEMBL17454468 0.82 LMNA (0.47) MAPTSMN1; SMN2LMNACYP1A2TP53
SCHEMBL4314264 0.81 ESR1 (0.53) MAPTSMN1; SMN2ALOX15LMNAKDM4E
SCHEMBL21819051 0.79 ALDH1A1 (0.51) SMN1; SMN2TP53HIF1AKMT2AMCL1
SCHEMBL13576767 0.79 KEAP1 (0.41) SMN1; SMN2LMNACYP1A2TP53HIF1A
SCHEMBL19900067 0.79 SCD5 (0.52) MAPTSMN1; SMN2LMNACYP1A2KDM4E
SCHEMBL17442847 0.79 MAPT (0.42) MAPTSMN1; SMN2ALOX15LMNACYP1A2
SCHEMBL22672604 0.79 TBK1 (0.44) MAPTSMN1; SMN2LMNACYP1A2KDM4E
SCHEMBL14564409 0.76 MAPT (0.78) MAPTSMN1; SMN2ALOX15LMNATP53
SCHEMBL492850 0.74 LMNA (0.66) MAPTSMN1; SMN2ALOX15LMNACYP1A2

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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 US disclosed
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 MAPT 3921/4885SMN1; SMN2 4610/4885ALOX15 429/4885

“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.