SCHEMBL2995407

SCHEMBL2995407

O=C(NNCCc1ccccc1)c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.72
TDP1 Q9NUW8 1/20 0.67
HDAC3 O15379 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC1 Q13547 2/20 0.59
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
NAMPT P43490 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
HTT P42858 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GPR52 Q9Y2T5 1/20 0.49

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
SCHEMBL2994694 0.91 HDAC3 (0.70) RAB9ATDP1HDAC3HDAC2HDAC1
SCHEMBL9107032 0.89 HDAC3 (0.65) RAB9AHDAC3HDAC2HDAC1ALDH1A1
SCHEMBL1568235 0.84 RAB9A (1.00) RAB9ATDP1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL2995747 0.84 CA1 (0.67) RAB9ATDP1HDAC3HDAC2HDAC1
SCHEMBL17833172 0.84 KMT2A (0.74) RAB9ATDP1HDAC3HDAC2HDAC1
SCHEMBL17673049 0.83 RAB9A (0.97) RAB9ATDP1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL17141809 0.81 HDAC3 (0.83) RAB9AHDAC3HDAC2HDAC1GAA
Nialamide SCHEMBL28086228 0.81 RAB9A (0.55) RAB9ATDP1HDAC3HDAC2HDAC1
Nialamide SCHEMBL49430 0.80 CA1 (0.62) RAB9ATDP1HDAC3HDAC2HDAC1
SCHEMBL2654333 0.79 HDAC3 (0.58) RAB9AHDAC3HDAC2HDAC1NPC1

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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB RAB9A 4462/4885TDP1 3641/4885HDAC3 111/4885

“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.