SCHEMBL20022697

SCHEMBL20022697

O=C(C1CC1)N1CCN(Cn2sc3ncccc3c2=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.69
TGM2 P21980 4/20 0.52
DTYMK P23919 1/20 0.51
KAT2B Q92831 7/20 0.47
EP300 Q09472 3/20 0.46
CREBBP Q92793 3/20 0.46
KAT2A Q92830 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
LIPG Q9Y5X9 2/20 0.41
RORC P51449 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL21996046 0.86 KAT2B (0.61) P4HBTGM2DTYMKKAT2BEP300
SCHEMBL22056075 0.82 KAT2B (0.54) P4HBTGM2DTYMKKAT2BEP300
SCHEMBL17948274 0.81 P4HB (1.00) P4HBTGM2DTYMKKAT2BKAT2A
SCHEMBL22056076 0.81 P4HB (0.58) P4HB
SCHEMBL20022718 0.81 P4HB (0.70) P4HBTGM2
SCHEMBL22056078 0.81 KAT2B (0.50) P4HBTGM2DTYMKKAT2BEP300
SCHEMBL20022721 0.78 P4HB (0.69) P4HBTGM2
SCHEMBL22056074 0.77 KAT2B (0.72) TGM2DTYMKKAT2BEP300CREBBP
SCHEMBL22056077 0.76 KAT2B (0.69) DTYMKKAT2BEP300CREBBPKAT2A
SCHEMBL20022720 0.75 P4HB (0.65) P4HBTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-04-05 US disclosed
US-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-04-05 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-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE PDIA5, PDIA4, PDIA6 P4HB 5/4885TGM2 2410/4885DTYMK 2784/4885

“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.