SCHEMBL6920190

SCHEMBL6920190

COC(=O)c1cnc(C=O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ GAA P10253 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ERN1 O75460 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
SCHEMBL19278624 0.87 ALDH1A1 (0.47) ALDH1A1MAPTHSP90AA1SMN1; SMN2CYP1A2
SCHEMBL22445816 0.82 NNMT (0.41) ALDH1A1MAPTHSP90AA1SMN1; SMN2CYP1A2
SCHEMBL29261696 0.81 TSHR (0.39) ALDH1A1MAPTHSP90AA1SMN1; SMN2CYP1A2
SCHEMBL24769282 0.80 POLQ (0.48) ALDH1A1MAPTHSP90AA1SMN1; SMN2CYP1A2
SCHEMBL30858901 0.79 POLQ (0.45) GAA
SCHEMBL31149461 0.78 KDM4E (0.47) ALDH1A1MAPTHSP90AA1HPGDKDM4E
SCHEMBL25241363 0.78 KDM4E (0.47) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL25231350 0.78 KDM4E (0.47) ALDH1A1MAPTHSP90AA1HPGDKDM4E
SCHEMBL4982191 0.78 NNMT (0.51) ALDH1A1MAPTHSP90AA1SMN1; SMN2HPGD
SCHEMBL31208502 0.78 KDM4E (0.47) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885MAPT 2484/4885HSP90AA1 138/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885MAPT 2484/4885HSP90AA1 138/4885

“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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