SCHEMBL21887622

SCHEMBL21887622

Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(N)cc5)cc4s3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MAPT P10636 6/20 0.67
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
GAA P10253 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
HPGD P15428 2/20 0.67
POLB P06746 2/20 0.67
MITF O75030 1/20 0.67
NFKB1 P19838 1/20 0.67
RECQL P46063 1/20 0.67
GFER P55789 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
PAX8 Q06710 1/20 0.67
KLF5 Q13887 1/20 0.67
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62

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
SCHEMBL15224059 0.93 NPC1 (0.65) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2192885 0.92 APP (0.70) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2192742 0.91 MAPT (0.73) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL12392535 0.88 MAPT (0.61) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2191507 0.88 APP (0.71) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL12727647 0.88 MMP9 (0.81) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL15224053 0.86 DYRK1A (0.58) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL16623342 0.85 MAPT (0.55) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL14768727 0.81 ALDH1A1 (0.68) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL12392542 0.81 HDAC6 (0.56) NPC1RAB9AMAPTKDM4EALDH1A1

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-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 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-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 NPC1 2815/4885RAB9A 2322/4885MAPT 1927/4885

“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.