SCHEMBL22348782

SCHEMBL22348782

O=c1cc(Cc2ccncc2)cc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.47
▸ CYP11B2 P19099 6/20 0.47
▸ CYP17A1 P05093 6/20 0.47
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP19A1 P11511 4/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 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
SCHEMBL3989724 0.81 ABL1 (0.54) CYP3A4SMN1; SMN2POLB
SCHEMBL721736 0.72 CYP17A1 (0.61) CYP11B1CYP11B2CYP17A1HRH4HRH3
SCHEMBL6929568 0.71 — —
SCHEMBL6042144 0.71 NOTUM (0.64) CYP3A4MAPTSMN1; SMN2APOBEC3GHDAC6
SCHEMBL27923928 0.70 DAO (0.48) —
SCHEMBL18914131 0.70 KEAP1 (0.38) —
SCHEMBL14257671 0.70 CYP17A1 (0.54) CYP11B1CYP11B2CYP17A1HRH4HRH3
SCHEMBL885378 0.70 — —
SCHEMBL9494732 0.70 — —
SCHEMBL29183551 0.70 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745389-B2 HDAC6 selective inhibitors, preparation method therefor, and application thereof CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-08-18 — — 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-10745389-B2 HDAC6 selective inhibitors, preparation method therefor, and application thereof HDAC6, HDAC1, HDAC11 CYP11B1 666/4885CYP11B2 1052/4885CYP17A1 444/4885

“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.

Send feedback