SCHEMBL2025484

SCHEMBL2025484

N#CN=C1C(Cc2c(Cl)cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)cc2Cl)CCN1N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NAMPT P43490 1/20 0.34
MBTD1 Q05BQ5 4/20 0.33
L3MBTL3 Q96JM7 4/20 0.33
CTSC P53634 1/20 0.33
MET P08581 1/20 0.33
MGLL Q99685 3/20 0.33
HTR2B P41595 1/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL2025483 1.00 L3MBTL1 (0.35) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2021682 0.93 HTR2B (0.34) HSD11B1NAMPTMGLLHTR2BSPR
SCHEMBL2021683 0.93 HTR2B (0.34) HSD11B1NAMPTMGLLHTR2BSPR
SCHEMBL2023490 0.86 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2065163 0.86 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2020340 0.82 HSD11B1 (0.33) HSD11B1NAMPTMETMGLLHTR2B
SCHEMBL2020341 0.82 HSD11B1 (0.33) HSD11B1NAMPTMETMGLLHTR2B
SCHEMBL2023698 0.81 NAMPT (0.33) ALDH1A1HSD11B1SMN1; SMN2LRRK2NAMPT
SCHEMBL2023699 0.81 NAMPT (0.33) ALDH1A1HSD11B1SMN1; SMN2LRRK2NAMPT
Water SCHEMBL1093097 0.80 HTR2B (0.37) HSD11B1NAMPTMGLLHTR2BSPR

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 8 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-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 WO 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 (2 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 L3MBTL1 3239/4885MEN1 1978/4885KMT2A 2829/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 L3MBTL1 3678/4885MEN1 3598/4885KMT2A 3808/4885

“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.