SCHEMBL4859920

SCHEMBL4859920

COC(=O)c1sc2cccnc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.49
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 8/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4859707 0.87 LIMK1 (0.50) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL1811307 0.84 LIMK1 (0.50) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL4858574 0.84 LIMK1 (0.50) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL843791 0.82 LIMK1 (0.68) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL1098273 0.82 LIMK1 (0.49) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL8142918 0.81 LIMK1 (0.48) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL12655780 0.80 LIMK1 (0.47) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL1811701 0.79 LIMK1 (0.46) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL7677747 0.77 LIMK1 (0.44) LIMK1LMNAMAPK1KDM4EKMT2A
SCHEMBL4851054 0.77 KDM4E (0.66) LIMK1LMNAKDM4EKMT2AALDH1A1

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
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 LIMK1 4830/4885LMNA 3214/4885MAPK1 1210/4885

“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.