SCHEMBL1033009

SCHEMBL1033009

O=C(NC1CC1)c1ccc2nc(Cl)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
LCK P06239 4/20 0.52
MAOB P27338 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMYD3 Q9H7B4 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MLLT1 Q03111 1/20 0.48
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CHRNA7 P36544 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL14959520 0.82 LMNA (0.63) LMNAALDH1A1HPGDLCKMAOB
SCHEMBL20049226 0.82 LMNA (0.46) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL1748004 0.81 SMN1; SMN2 (0.63) LMNAALDH1A1LCKTDP1NPC1
SCHEMBL24494427 0.81 LMNA (0.45) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL29632156 0.81 LMNA (0.45) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL26962766 0.80 LMNA (0.73) LMNAALDH1A1HPGDLCKMAOB
SCHEMBL20043362 0.80 LMNA (0.45) LMNAALDH1A1HPGDLCKNPC1
SCHEMBL16716377 0.80 LMNA (0.59) LMNAALDH1A1HPGDLCKMAOB
SCHEMBL1036069 0.79 KDM4E (0.62) LMNAALDH1A1HPGDTDP1NPC1
SCHEMBL11930610 0.79 LMNA (0.58) LMNAALDH1A1HPGDLCKMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 LMNA 4015/4885ALDH1A1 236/4885HPGD 169/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 LMNA 2548/4885ALDH1A1 345/4885HPGD 212/4885

“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.