SCHEMBL346274

SCHEMBL346274

O=C(NO)C1CCc2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
PTGS2 P35354 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP19A1 P11511 2/20 0.44
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL30006435 0.86 ACHE (0.47) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL31522714 0.83 DDB1 (0.56) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL8021509 0.81 ACHE (0.54) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL599710 0.80 ACHE (0.53) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL29458360 0.80 ACHE (0.53) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL30023013 0.79 ACHE (0.50) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL578148 0.79 ACHE (0.50) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL599658 0.79 HSD17B10 (0.60) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL29458361 0.79 HSD17B10 (0.60) ACHEPTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL29365032 0.76 ACHE (0.47) ACHEPTGS2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US claimed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO claimed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US claimed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ACHE 3602/4885PTGS2 1179/4885SMN1; SMN2 567/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ACHE 1149/4885PTGS2 956/4885SMN1; SMN2 1515/4885

“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.