SCHEMBL3362886

SCHEMBL3362886

C=CCNCC=C.Cn1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.66
KEAP1 Q14145 1/20 0.66
POLB P06746 2/20 0.43
RAB9A P51151 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP4Z1 Q86W10 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 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
SCHEMBL170155 0.81 SLC9A1 (1.00) SLC9A1KEAP1POLBRAB9ACYP4Z1
SCHEMBL29720118 0.81 SLC9A1 (1.00) SLC9A1KEAP1POLBRAB9ACYP4Z1
SCHEMBL3673451 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
SCHEMBL30431949 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
Water SCHEMBL29255956 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
SCHEMBL1151656 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
Ammonia Solution, Strong SCHEMBL4635177 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
SCHEMBL2925766 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
Hydrochloric Acid SCHEMBL9284746 0.79 SLC9A1 (0.95) SLC9A1KEAP1POLBRAB9ACYP4Z1
SCHEMBL14953612 0.78 RPS6KA3 (0.52) SLC9A1POLBRAB9AMAPTNPC1

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 SLC9A1 1678/4885KEAP1 4297/4885POLB 1230/4885

“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.