SCHEMBL1923029

SCHEMBL1923029

COc1ccc(Cl)c(C#Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.52
HAO1 Q9UJM8 2/20 0.50
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
APP P05067 3/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CYP2A6 P11509 1/20 0.40
CA12 O43570 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
SCHEMBL1921687 0.87 ACACB (0.53) ACACBHAO1PDE4APDE4BPDE4C
SCHEMBL1921623 0.79 APP (0.52) ACACBPDE4DAPPKMT2APOLB
SCHEMBL2404862 0.79 ACACB (0.47) ACACBAPPCYP1A2CYP2A6CA12
SCHEMBL20473150 0.77 ALDH1A1 (0.55) ACACBADORA3APPMEN1NPC1
SCHEMBL30568043 0.77 ALDH1A1 (0.55) ACACBADORA3APPMEN1NPC1
SCHEMBL1920649 0.76 CYP1A2 (0.49) ACACBAPPNPC1CYP1A2RAB9A
SCHEMBL5552160 0.76 APP (0.65) APPMEN1NPC1KMT2APOLB
SCHEMBL4267103 0.74 CA12 (0.63) HAO1APPCA12CA1CA2
SCHEMBL28760471 0.74 AKR1C3 (0.47) ADORA3MEN1NPC1KMT2APOLB
SCHEMBL28799406 0.74 HAO1 (0.44) HAO1ADORA3APPMEN1NPC1

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
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 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
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 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 (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-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 ACACB 2504/4885HAO1 1029/4885PDE4A 4005/4885

“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.