SCHEMBL17549698

SCHEMBL17549698

CC[C@@H](N)C(=O)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.64
KMT2A Q03164 8/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
HTR2C P28335 1/20 0.49
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 4/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
GAA P10253 1/20 0.46
PABPC1 P11940 2/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL21980932 0.86 LTA4H (0.48) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL13268415 0.86 LTA4H (0.48) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL12594175 0.82 KMT2A (0.47) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL9923947 0.82 LTA4H (0.44) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL1983127 0.80 AAK1 (0.48) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL12593841 0.80 AAK1 (0.48) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL20906310 0.80 AAK1 (0.48) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL1978742 0.80 AAK1 (0.48) LTA4HKMT2AALDH1A1POLBMAPT
SCHEMBL11642407 0.80 MITF (0.57) ALDH1A1POLBMAPTRAB9AHDAC3
Hydrochloric Acid SCHEMBL21980915 0.80 AAK1 (0.47) LTA4HKMT2AALDH1A1POLBMAPT

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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 US disclosed
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 LTA4H 4140/4885KMT2A 530/4885ALDH1A1 848/4885

“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.