SCHEMBL4252209

SCHEMBL4252209

O=C(CCc1ccccc1)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 2/20 0.54
MEN1 O00255 4/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
FFAR1 O14842 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL444533 0.89 KMT2A (0.61) TAAR1KMT2AKDM4ELMNAATM
SCHEMBL4257390 0.82 NPC1 (0.71) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL446569 0.82 KDM4E (0.60) TAAR1KMT2AKDM4ELMNAATM
SCHEMBL9531141 0.80 TAAR1 (0.60) TAAR1KMT2AKDM4ELMNAATM
SCHEMBL4247786 0.78 FAAH (0.53) KMT2AKDM4ELMNAMEN1SMN1; SMN2
SCHEMBL4255378 0.78 KMT2A (0.48) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4255201 0.77 KMT2A (0.68) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL4253893 0.77 SMN1; SMN2 (0.74) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4247721 0.77 HDAC3 (0.61) KMT2AKDM4ELMNAMEN1RAB9A
SCHEMBL4251104 0.76 NPC1 (0.61) KMT2AMEN1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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 (1 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 TAAR1 3099/4885KMT2A 94/4885KDM4E 369/4885

“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.