SCHEMBL3466637

SCHEMBL3466637

Cc1cc(NC(=O)O)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
ABL1 P00519 1/20 0.42
NNMT P40261 1/20 0.41
RAB9A P51151 10/20 0.39
NPC1 O15118 8/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
SORT1 Q99523 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
GCK P35557 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL358579 0.87 L3MBTL1 (0.53) MTORABL1NNMTRAB9ANPC1
SCHEMBL2731655 0.83 CNR2 (0.51) MTORABL1NNMTRAB9ANPC1
SCHEMBL30207707 0.83 CNR2 (0.51) MTORABL1NNMTRAB9ANPC1
SCHEMBL3466797 0.82 NNMT (0.44) NNMTRAB9ANPC1TP53KMT2A
SCHEMBL7936580 0.82 ABL1 (0.43) MTORABL1RAB9AKMT2AMEN1
SCHEMBL16905389 0.79 GSK3B (0.46) MTORABL1MAPK1
SCHEMBL30107231 0.79 GSK3B (0.46) MTORABL1MAPK1
SCHEMBL15890212 0.79 KMT2A (0.48) MTORABL1TP53MAPK1KMT2A
SCHEMBL17912921 0.78 NPC1 (0.46) ABL1RAB9ANPC1MAPK1ALDH1A1
SCHEMBL31241121 0.78 RAB9A (0.62) RAB9ANPC1MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 MTOR 1849/4885ABL1 1051/4885NNMT 15/4885

“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.