SCHEMBL4550072

SCHEMBL4550072

Cc1nc(-c2ccccc2OCCn2ccc3ccc(C(=O)NO)cc3c2=O)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
EIF4EBP1 Q13541 4/20 0.39
HDAC1 Q13547 5/20 0.37
KDM1A O60341 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TNF P01375 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 2/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4550109 0.96 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2619419 0.84 ALDH1A1 (0.43) HDAC1NPC1RAB9ATNFSMN1; SMN2
SCHEMBL17545494 0.83 HDAC3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2619358 0.82 HDAC1 (0.37) EIF4EBP1HDAC1KDM1ATNFHDAC6
SCHEMBL4550103 0.82 HDAC8 (0.46) HDAC1NPC1RAB9ATNFSMN1; SMN2
SCHEMBL10262477 0.80 HDAC8 (0.46) EIF4EBP1HDAC1RAB9AHDAC6HDAC3
SCHEMBL2619238 0.79 TNF (0.43) HDAC1TNFHDAC6HDAC3MAPT
SCHEMBL10262998 0.79 HDAC6 (0.38) EIF4EBP1HDAC1TNFP2RX3HDAC6
SCHEMBL2619276 0.78 EIF4EBP1 (0.38) EIF4EBP1HDAC1HDAC6HDAC3RXFP1
SCHEMBL2619285 0.78 S1PR1 (0.40) EIF4EBP1HDAC1HDAC6HDAC3MAPT

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PSEN1 3312/4885PSEN2 3639/4885APH1B 1428/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PSEN1 3312/4885PSEN2 3639/4885APH1B 1428/4885

“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.