SCHEMBL3017258

SCHEMBL3017258

O=C(O)N(Cc1ccccc1)C[C@@H]1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
PKM P14618 2/20 0.49
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
GPR88 Q9GZN0 1/20 0.47
MEN1 O00255 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
USP30 Q70CQ3 1/20 0.45
GHSR Q92847 2/20 0.44
CTSD P07339 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EED O75530 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3693309 1.00 KMT2A (0.52) KMT2APKMCHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1623810 0.99 KMT2A (0.51) KMT2APKMCHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1624112 0.99 KMT2A (0.51) KMT2APKMCHRNB2CHRNB4CHRNA3
SCHEMBL3274646 0.92 USP30 (0.53) KMT2APKMMEN1HDAC1HDAC6
SCHEMBL13738679 0.92 USP30 (0.53) KMT2APKMMEN1HDAC1HDAC6
SCHEMBL1624125 0.92 USP30 (0.53) KMT2APKMMEN1HDAC1HDAC6
Hydrochloric Acid SCHEMBL3272901 0.90 USP30 (0.52) KMT2APKMMEN1HDAC1HDAC6
SCHEMBL2009587 0.82 GBA1 (0.53) KMT2APKMMEN1HDAC1HDAC6
SCHEMBL8773484 0.82 HDAC1 (0.61) KMT2APKMMEN1HDAC1HDAC6
SCHEMBL3372477 0.80 HDAC1 (0.58) KMT2APKMMEN1HDAC1HDAC6

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-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 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-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT KMT2A 4235/4885PKM 1374/4885CHRNB2 2856/4885

“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.