SCHEMBL970073

SCHEMBL970073

Sc1nnc(-c2cccnc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 3/20 0.55
NPC1 O15118 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2A6 P11509 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP19A1 P11511 2/20 0.46
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46

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
SCHEMBL30396089 1.00 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1424931 0.86 KDM4E (0.75) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL255577 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL12278703 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30803985 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL969040 0.78 ALDH1A1 (0.52) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL170969 0.78 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1MEN1
Bromide SCHEMBL162182 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL255979 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL174599 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285565-B1 2-MERCAPTO-5-PYRIDYL-1,3,4-OXADIAZOLES AND 1,3,4-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS NEMATICIDAL AGENTS CIBA-GEIGY AG (CH) 1993-09-15 EP claimed
US-4894380-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1990-01-16 US claimed
EP-0285565-A2 2-Mercapto-5-pyridyl-1,3,4-oxadiazoles and 1,3,4-thiadiazoles, process for their preparation and their use as nematicidal agents CIBA-GEIGY AG (CH) 1988-10-05 EP claimed
CN-110546140-B Selective HDAC6 inhibitors 意大发马克股份公司 2023-05-16 CN disclosed
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 US disclosed
CN-110546140-A selective HDAC6 inhibitors ITALFARMACO SPA 2019-12-06 CN disclosed
EP-0543864-A1 NOVEL VITAMIN D ANALOGUES. LEO PHARM PROD LTD (DK) 1993-06-02 EP disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4894380-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1990-01-16 US disclosed
US-4894380-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1990-01-16 US disclosed
US-4894380-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1990-01-16 US disclosed
EP-0285565-A2 2-Mercapto-5-pyridyl-1,3,4-oxadiazoles and 1,3,4-thiadiazoles, process for their preparation and their use as nematicidal agents CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
EP-0285565-A2 2-Mercapto-5-pyridyl-1,3,4-oxadiazoles and 1,3,4-thiadiazoles, process for their preparation and their use as nematicidal agents CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 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-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 KDM4E 308/4885SMN1; SMN2 1607/4885RAB9A 1377/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 KDM4E 304/4885SMN1; SMN2 1667/4885RAB9A 1379/4885

“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.