SCHEMBL21312466

SCHEMBL21312466

Cc1ccc(/C=C/c2[nH]nnc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 2/20 0.39
ALPL P05186 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL22772699 1.00 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL22772738 0.96 ALPL (0.41) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL21312736 0.96 ALPL (0.41) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL21312668 0.86 LMNA (0.40) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL22772789 0.86 LMNA (0.40) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL22772698 0.85 CYP1A2 (0.42) CYP1A2ALPLPTGS2CYP1B1MAOA
SCHEMBL22772696 0.85 CYP1A2 (0.42) CYP1A2ALPLPTGS2CYP1B1MAOA
SCHEMBL22772690 0.85 CYP1B1 (0.39) RAB9ANPC1HPGDKDM4ELMNA
SCHEMBL21312446 0.85 CYP1B1 (0.39) RAB9ANPC1HPGDKDM4ELMNA
SCHEMBL22772676 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDKDM4E

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-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX RAB9A 2533/4885NPC1 1529/4885SMN1; SMN2 3163/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX RAB9A 2533/4885NPC1 1529/4885SMN1; SMN2 3163/4885

“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.