SCHEMBL29979916

SCHEMBL29979916

NC(=O)c1ccc(-n2cc(CN(Cc3ccccc3)Cc3ccccc3)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.52
▸ MAOB P27338 2/20 0.52
▸ HSP90AB1 P08238 1/20 0.49
▸ MIF P14174 4/20 0.49
▸ CD74 P04233 1/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NOTUM Q6P988 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ APP P05067 1/20 0.44
▸ SLC6A9 P48067 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42

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
SCHEMBL22749452 0.90 MAOA (0.61) MAOAMAOBHSP90AB1MIFCD74
SCHEMBL22749405 0.80 L3MBTL1 (0.46) MAOAMAOBHSP90AB1MIFCD74
SCHEMBL29980445 0.78 PTPN1 (0.45) MAOAMAOBMIFCA12CA9
SCHEMBL29980598 0.78 PTPN1 (0.45) MAOAMAOBMIFCA12CA9
SCHEMBL29548308 0.75 MAOA (0.57) MAOAMAOBMIFCA12CA9
SCHEMBL19876876 0.73 HSP90AB1 (0.46) MAOAMAOBHSP90AB1MIFCD74
SCHEMBL28701789 0.71 HSP90AB1 (0.40) MAOAMAOBHSP90AB1MIFCD74
SCHEMBL29980293 0.70 MAOA (0.57) MAOAMAOBMIFCA12CA9
SCHEMBL19876924 0.69 HDAC3 (0.44) HSP90AB1MIFCD74CA12CA9
SCHEMBL23646735 0.69 HDAC3 (0.44) HSP90AB1MIFCD74CA12CA9

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-20220299521-A1 CHEMOSELECTIVE SENSITIVITY BOOSTER FOR TAGGING A PEPTIDE, PEPTIDE CONJUGATE, OR SIMILAR REACTIVE MOLECULE Indian Institute Of Science Education And Research Bhopal (IN) 2022-09-22 — — 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-20220299521-A1 CHEMOSELECTIVE SENSITIVITY BOOSTER FOR TAGGING A PEPTIDE, PEPTIDE CONJUGATE, OR SIMILAR REACTIVE MOLECULE PTMS, PA2G4, MAX MAOA 4551/4885MAOB 3989/4885HSP90AB1 594/4885

“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.

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