SCHEMBL1921687

SCHEMBL1921687

COc1ccc(C#Cc2ccccc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.53
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
APP P05067 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
AR P10275 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1923029 0.87 ACACB (0.52) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL30568043 0.80 ALDH1A1 (0.55) ACACBMEN1NPC1POLBRAB9A
SCHEMBL20473150 0.80 ALDH1A1 (0.55) ACACBMEN1NPC1POLBRAB9A
SCHEMBL1921623 0.79 APP (0.52) ACACBPDE4DPOLBKMT2AAPP
SCHEMBL13117493 0.79 ACACB (0.48) ACACBPOLBAPPCYP1A2CYP2A6
SCHEMBL4765815 0.76 ERN1 (0.49) ACACBMEN1NPC1POLBRAB9A
SCHEMBL1920649 0.76 CYP1A2 (0.49) ACACBNPC1RAB9AAPPCYP1A2
SCHEMBL5552160 0.76 APP (0.65) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL27914955 0.75 ALDH1A1 (0.47) ACACBPDE4APDE4DMEN1NPC1
SCHEMBL1415707 0.75 ACACB (0.42) ACACBMEN1NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2134682-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI SA (FR) 2011-12-14 EP disclosed
US-8026375-B2 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2011-09-27 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
US-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2010-07-01 US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
EP-2134682-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES Sanofi-Aventis (FR) 2009-12-23 EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2008125207-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI-AVENTIS (FR) 2008-10-23 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-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles NAT1, H1-3, H1-2 ACACB 1100/4885PDE4A 2884/4885PDE4B 3372/4885
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 ACACB 2504/4885PDE4A 4005/4885PDE4B 3816/4885

“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.