SCHEMBL20968238

SCHEMBL20968238

O=C(c1cccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PPARD Q03181 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HDAC4 P56524 6/20 0.42
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC1 Q13547 5/20 0.42
▸ S1PR1 P21453 3/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL20968229 0.85 RAB9A (0.55) NPC1LMNATP53GAAMAPK1
SCHEMBL20968167 0.82 MAOA (0.47) NPC1LMNATP53GAAMAPK1
SCHEMBL30850814 0.81 HDAC6 (0.51) NPC1LMNARAB9ASMN1; SMN2NR1H4
SCHEMBL20968217 0.80 NPC1 (0.49) NPC1LMNATP53GAAMAPK1
SCHEMBL3057263 0.80 NR1H4 (0.61) NPC1TP53RAB9ASMN1; SMN2PPARD
SCHEMBL20968168 0.79 S1PR1 (0.54) NPC1LMNATP53GAAMAPK1
SCHEMBL3053264 0.78 LMNA (0.60) NPC1LMNATP53HTTRAB9A
SCHEMBL20968173 0.78 CASP3 (0.54) NPC1LMNARAB9ASMN1; SMN2PPARD
SCHEMBL5836424 0.77 NR1H4 (0.66) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL3068001 0.76 MMP13 (0.49) NPC1LMNATP53RAB9ASMN1; SMN2

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-10662164-B2 Non-beta lactam antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-05-26 — — US disclosed
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC 2019-05-02 — — 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 (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-10662164-B2 Non-beta lactam antibiotics OXA1L, O60361, CUTA NPC1 2521/4885LMNA 1699/4885TP53 4798/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA NPC1 2521/4885LMNA 1699/4885TP53 4798/4885

“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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