SCHEMBL4550109

SCHEMBL4550109

Cc1nc(-c2ccccc2OCCCn2ccc3ccc(C(=O)NO)cc3c2=O)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TNF P01375 6/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
MCL1 Q07820 2/20 0.37
KDM1A O60341 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 1/20 0.36
BAD Q92934 1/20 0.35
MAPT P10636 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
SCHEMBL4550072 0.96 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17545494 0.88 HDAC3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2619358 0.87 HDAC1 (0.37) TNFHDAC1HDAC3HDAC6MCL1
SCHEMBL2619238 0.84 TNF (0.43) TNFHDAC1HDAC3HDAC6MCL1
SCHEMBL4550178 0.82 SMPD1 (0.47) TNFHDAC1HDAC3HDAC6NPC1
SCHEMBL2118250 0.80 HDAC8 (0.45) TNFHDAC1HDAC3HDAC6MCL1
SCHEMBL2619419 0.79 ALDH1A1 (0.43) TNFHDAC1HDAC3HDAC6NPC1
SCHEMBL10263307 0.79 PIN1 (0.41) TNFHDAC1HDAC3HDAC6MCL1
SCHEMBL4550181 0.78 MCL1 (0.40) TNFHDAC1HDAC3HDAC6MCL1
SCHEMBL4550103 0.78 HDAC8 (0.46) TNFHDAC1HDAC3HDAC6NPC1

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 5 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
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.