SCHEMBL3397331

SCHEMBL3397331

C=CCC(=O)n1ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.41
TFPI2 P48307 1/20 0.40
NPY4R P50391 1/20 0.40
GAA P10253 1/20 0.40
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL28725476 0.85 NOTUM (0.51) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL14272674 0.82 NOTUM (0.51) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL30452280 0.79 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL2997057 0.79 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL10837613 0.79 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL25430303 0.79 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL10835083 0.79 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL31565005 0.79 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL4176193 0.78 NOTUM (0.50) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL5070937 0.77 NOTUM (0.58) NOTUMTSHRRAB9AL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 NOTUM 3355/4885TSHR 1579/4885RAB9A 2066/4885

“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.