SCHEMBL8881365

SCHEMBL8881365

N#Cc1ccc(-c2nnc(CC(=O)O)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ NOTUM Q6P988 4/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ SLC22A12 Q96S37 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL8881306 0.83 SMN1; SMN2 (0.53) NPC1MAPTPKMMAOAMAOB
SCHEMBL15272135 0.81 SMN1; SMN2 (0.50) NPC1PKMSMN1; SMN2NR1H4NOTUM
SCHEMBL28987859 0.81 SMN1; SMN2 (0.72) NPC1MAPTPKMMAOAMAOB
SCHEMBL18824399 0.80 HDAC8 (0.56) MAPTGSK3BHDAC8TSHRALDH1A1
SCHEMBL17001607 0.78 MAPT (0.51) NPC1MAPTPKMMAOAMAOB
SCHEMBL11920163 0.78 ALDH1A1 (0.64) NPC1MAPTPKMMAOAMAOB
SCHEMBL8879931 0.77 HDAC8 (0.62) NPC1MAPTPKMSMN1; SMN2GSK3B
SCHEMBL12797771 0.76 NPC1 (0.70) NPC1MAOAMAOBNR1H4GSK3B
SCHEMBL27864374 0.76 MAOA (0.68) NPC1MAPTPKMMAOAMAOB
SCHEMBL8879224 0.75 NPSR1 (0.72) NPC1MAPTPKMSMN1; SMN2GSK3B

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-20180317490-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-11-08 — — US disclosed
EP-3370525-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-09-12 — — EP disclosed
WO-2017076740-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-11 — — WO disclosed
US-5668159-A ANTICOAGULANTS FOR CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-09-16 — — 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 (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-20180317490-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI PAOX, NOXO1, CYP51A1 NPC1 3752/4885MAPT 3147/4885PKM 2784/4885

“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.

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