SCHEMBL25212922

SCHEMBL25212922

COC(=O)c1ccc(C(O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP4A11 Q02928 2/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
CYP4F2 P78329 1/20 0.45

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
SCHEMBL10777253 0.92 LOXL2 (0.58) NPC1LOXL2SMN1; SMN2MEN1KMT2A
SCHEMBL10657725 0.88 ADRB3 (0.59) CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1428309 0.84 CA1 (0.56) RAB9ANPC1LOXL2SMN1; SMN2ALDH1A1
SCHEMBL3297654 0.82 CA1 (0.57) RAB9ANPC1LOXL2MEN1KMT2A
SCHEMBL6541342 0.81 ADRB3 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6541336 0.81 ADRB3 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4461242 0.81 ADRB3 (0.62) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL7411710 0.80 NPC1 (0.60) RAB9ANPC1LOXL2SMN1; SMN2MEN1
SCHEMBL25223968 0.80 SMN1; SMN2 (0.47) RAB9ANPC1LOXL2SMN1; SMN2MEN1
SCHEMBL5099590 0.80 SLC6A4 (0.54) CYP3A4TSHRMAPK1CNR2NPSR1

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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 EP 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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 RAB9A 3395/4885NPC1 3167/4885LOXL2 3063/4885

“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.