SCHEMBL1174355

SCHEMBL1174355

O=C(NO)c1cc2c(s1)CN(C(=O)c1[nH]nc3c1CCCC3)CC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.53
ALDH1A1 P00352 7/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 2/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.35
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
KDM1A O60341 3/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL7800057 0.73 HDAC6 (0.55) HDAC6ALDH1A1TP53POLBPKM
SCHEMBL7788151 0.73 HDAC6 (0.55) HDAC6ALDH1A1TP53POLBMEN1
SCHEMBL16217228 0.73 RAB9A (0.36) HDAC6ALDH1A1TP53POLBPKM
SCHEMBL1174038 0.71 HDAC6 (0.61) HDAC6ALDH1A1HPGDRAB9AKDM1A
SCHEMBL1174100 0.71 HDAC6 (0.58) HDAC6ALDH1A1TP53POLBGAA
SCHEMBL1173768 0.70 HDAC6 (0.60) HDAC6ALDH1A1POLBPKMMEN1
SCHEMBL1173965 0.70 HDAC6 (0.61) HDAC6ALDH1A1RAB9AKDM1ANPC1
SCHEMBL16220562 0.70 HDAC6 (0.58) HDAC6
SCHEMBL12868546 0.70 HDAC6 (0.60) HDAC6ALDH1A1TP53POLBPKM
SCHEMBL1174602 0.70 HDAC6 (0.60) HDAC6KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885ALDH1A1 1220/4885TP53 3270/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885ALDH1A1 1220/4885TP53 3270/4885

“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.