SCHEMBL3363980

SCHEMBL3363980

Brc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
KDM1A O60341 2/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
CXCR3 P49682 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 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
SCHEMBL9720812 0.82 SMN1; SMN2 (0.63) SMN1; SMN2CXCR3KDM4EALDH1A1LMNA
SCHEMBL3360454 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KDM1ACXCR3KDM4EALDH1A1
SCHEMBL12875947 0.81 SMN1; SMN2 (0.67) SMN1; SMN2KDM1ACXCR3EPHX2
SCHEMBL13397148 0.81 SMN1; SMN2 (0.67) SMN1; SMN2KDM1ACXCR3EPHX2
SCHEMBL3359767 0.81 SMN1; SMN2 (0.67) SMN1; SMN2KDM1ACXCR3EPHX2
SCHEMBL3358972 0.80 KDM1A (0.54) SMN1; SMN2KDM1AKDM4EALDH1A1LMNA
SCHEMBL3360579 0.79 SMN1; SMN2 (0.97) SMN1; SMN2KDM1ACXCR3KDM4EALDH1A1
SCHEMBL15009401 0.78 SMN1; SMN2 (0.58) SMN1; SMN2CXCR3KDM4EALDH1A1LMNA
SCHEMBL3360370 0.78 MEN1 (0.58) SMN1; SMN2KDM1ACXCR3ALDH1A1LMNA
SCHEMBL11228127 0.78 SMN1; SMN2 (0.58) SMN1; SMN2CXCR3KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP 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 (3 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-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 SMN1; SMN2 3101/4885KDM1A 3968/4885MGAM 2247/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 SMN1; SMN2 3088/4885KDM1A 3633/4885MGAM 1878/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 SMN1; SMN2 3088/4885KDM1A 3633/4885MGAM 1878/4885

“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.