SCHEMBL2827530

SCHEMBL2827530

COc1ccc(Cl)cc1C(=NC1C2CC3CC1CC(O)(C3)C2)NC#N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.35
HSD11B1 P28845 2/20 0.35
LMNA P02545 1/20 0.34
KCNMA1 Q12791 3/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KLF5 Q13887 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2827526 0.81 HSD11B1 (0.43) HSD11B1JAK3
SCHEMBL2827525 0.81 HSD11B1 (0.43) HSD11B1JAK3
SCHEMBL2827531 0.81 HSD11B1 (0.43) HSD11B1JAK3
SCHEMBL2827937 0.78 HSD11B1 (0.47) P2RX7HSD11B1NPC1RAB9A
SCHEMBL2824564 0.74 TSHR (0.36) HSD11B1LMNAKCNMA1JAK3ALDH1A1
SCHEMBL2822255 0.72 HSD11B1 (0.36) P2RX7HSD11B1
SCHEMBL2824588 0.72 HSD11B1 (0.43) HSD11B1
SCHEMBL2824993 0.71 CYP3A4 (0.34) P2RX7HSD11B1
SCHEMBL2823693 0.71 CYP3A4 (0.34) P2RX7HSD11B1
SCHEMBL2822168 0.70 HSD11B1 (0.32) P2RX7HSD11B1LMNAALDH1A1

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 P2RX7 4138/4885HSD11B1 2/4885LMNA 3575/4885

“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.