SCHEMBL21715531

SCHEMBL21715531

Nc1ccccc1C(=O)Nc1nn[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.53
ME1 P48163 1/20 0.53
ME3 Q16798 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FADS1 O60427 1/20 0.47
KDM4E B2RXH2 3/20 0.46
APEX1 P27695 1/20 0.45
PTGS1 P23219 1/20 0.44
TSHR P16473 1/20 0.44
P2RX1 P51575 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL17064203 0.78 LMNA (0.53) ME2ME1ME3L3MBTL1ALDH1A1
SCHEMBL2653338 0.78 L3MBTL1 (0.57) ME2ME1ME3L3MBTL1ALDH1A1
SCHEMBL15882332 0.76 NPC1 (0.60) L3MBTL1NPC1RAB9AALDH1A1KMT2A
SCHEMBL14314287 0.73 ALDH1A1 (0.54) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL1250218 0.73 ALDH1A1 (0.50) L3MBTL1NPC1RAB9AALDH1A1KMT2A
SCHEMBL11743614 0.71 NPC1 (0.72) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL17744848 0.71 PTGS1 (0.75) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL25143003 0.71 ALDH1A1 (0.51) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL6106401 0.71 FADS1 (0.59) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL1140055 0.70 PTGS1 (0.68) NPC1RAB9AALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 US disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 US disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 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 (4 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-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 ME2 2981/4885ME1 3758/4885ME3 4031/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 ME2 2981/4885ME1 3758/4885ME3 4031/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 ME2 2891/4885ME1 3601/4885ME3 3979/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 ME2 3024/4885ME1 3639/4885ME3 4209/4885

“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.